2-Oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride

CAS No. 53439-87-5
Cat. No. CS-0071972
Purity≥97%
MDL No.None

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2-Oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride|CS-0071972

Structure of 53439-87-5

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Description

This sulfonyl chloride derivative features a fused benzodiazole core with a reactive acyl chloride group at the 5-position, enabling direct coupling in synthetic transformations. The electron-deficient aromatic system enhances electrophilicity, facilitating efficient incorporation into pharmaceutical and agrochemical scaffolds under mild conditions.

Application

2-Oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride serves as a versatile building block for sulfonamide-containing heterocycles, enabling efficient construction of benzodiazepine-derived scaffolds. Its sulfonyl chloride functionality facilitates rapid derivatization with amines and alcohols under mild conditions, offering high functional group tolerance and bench stability. The molecule’s reactivity supports straightforward purification and is well-suited for integration into medicinal chemistry workflows targeting kinase inhibitors and CNS modulators.

General Information

CAS No. 53439-87-5
Cat. No. CS-0071972
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClN₂O₃S
Molecular Weight 232.64
Synonym(s) 2-Oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonyl chloride
SMILES O=S(C(C=C1)=CC2=C1NC(N2)=O)(Cl)=O

Computational Chemistry Data

TPSA 82.79
LogP 0.7837
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 1

Safety Information

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

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Key Words

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2-Oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride

CAS No. 53439-87-5

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