4-(Dimethylsulfamoyl)benzene-1-sulfonyl chloride

Name: 4-(Dimethylsulfamoyl)benzene-1-sulfonyl chloride
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CAS No. 677782-39-7
Cat. No. CS-0139138
Purity≥97%
MDL No.None

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4-(Dimethylsulfamoyl)benzene-1-sulfonyl chloride|CS-0139138

Structure of 677782-39-7

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General Information

CAS No. 677782-39-7
Cat. No. CS-0139138
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₀ClNO₄S₂
Molecular Weight 283.75
Synonym(s) None
SMILES O=S(C1=CC=C(S(=O)(N(C)C)=O)C=C1)(Cl)=O

Description

4-(Dimethylsulfamoyl)benzene-1-sulfonyl chloride features a dual sulfonamide-sulfonyl chloride architecture, enabling efficient coupling in synthetic transformations. The electron-deficient aryl ring facilitates nucleophilic substitution, while the dimethylsulfamoyl group enhances solubility and stability under standard conditions. This reagent streamlines access to functionalized sulfonamide scaffolds in medicinal chemistry and materials synthesis.

Application

4-(Dimethylsulfamoyl)benzene-1-sulfonyl chloride serves as a versatile sulfonyl chloride building block for constructing sulfonamide-containing scaffolds. Its dimethylsulfamoyl group imparts enhanced solubility and metabolic stability, while the reactive sulfonyl chloride moiety enables efficient coupling with amines under mild conditions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry campaigns targeting kinase inhibitors and other bioactive molecules.

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314-H318
Precautionary Statements : P260-P280-P301+P330+P331-P304+P340

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Computational Chemistry Data

TPSA 71.52
LogP 0.8644
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Sulfonyl Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(Dimethylsulfamoyl)benzene-1-sulfonyl chloride

CAS No. 677782-39-7

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