Lot numbers can be found on the outside label of a product:
4-Fluoro-N,N-dimethylbenzenesulfonamide
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CAS No. 383-31-3
- Cat. No. CS-0042877
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 383-31-3
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General Information
- CAS No. 383-31-3
- Cat. No. CS-0042877
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₀FNO₂S
- Molecular Weight 203.23
- Synonym(s) N,N-Dimethyl 4-fluorobenzenesulfonamide
- SMILES O=S(C1=CC=C(F)C=C1)(N(C)C)=O
Description
4-Fluoro-N,N-dimethylbenzenesulfonamide features a para-fluorinated aromatic ring paired with a sterically hindered sulfonamide group, delivering enhanced metabolic stability and favorable solubility profiles. This scaffold integrates readily into medicinal chemistry campaigns targeting kinase inhibition and CNS-penetrant drug candidates.
Application
4-Fluoro-N,N-dimethylbenzenesulfonamide serves as a versatile sulfonamide building block in medicinal chemistry, enabling efficient introduction of a fluorinated aromatic scaffold with enhanced metabolic stability. The dimethylamino group provides favorable solubility and synthetic handle for further functionalization, while the sulfonamide moiety offers strong hydrogen-bonding capacity and is compatible with standard coupling reactions. Bench-stable and readily purified by chromatography or recrystallization, it functions effectively in late-stage derivatization and API intermediate synthesis.
Synthesis
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Route1
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In-stock
349-88-2 -
124-40-3 - ~98%
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In-stock
383-31-3
References
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KYOWA HAKKO KOGYO CO., LTD. Patent: EP1354882 A1, 2003 ; Location in patent: Page/Page column 85 ;
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Route2
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In-stock
349-88-2
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506-59-2
- ~50%
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In-stock
383-31-3
References
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Chen, Li; Firooznia, Fariborz; Gillespie, Paul; He, Yun; Lin, Tai-An; Mertz, Eric; So, Sung-Sau; Yun, Hong Ying; Zhang, Zhenshan Patent: US2010/125058 A1, 2010 ; Location in patent: Page/Page column 31 ; US 20100125058 A1
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Route3
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In-stock
371-42-6 -
68-12-2
- ~89%
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In-stock
383-31-3
References
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Huang, Xin; Wang, Jichao; Ni, Zhangqin; Wang, Sichang; Pan, Yuanjiang Chemical Communications, 2014 , vol. 50, # 35 p. 4582 - 4584
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 37.38
- LogP 1.076
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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