3-Chloro-4-[(isopropyl amino)sulfonyl]benzoic acid

HCID 68675933
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Basic information

Standard SMILES
CC(C)NS(=O)(=O)c1ccc(C(=O)O)cc1Cl
InChIKey
TXDRPWHVVXWLIB-UHFFFAOYSA-N
Molecular formula
C10H12ClNO4S
Average molar mass
277.73 g/mol

Names & identifiers

Preferred name
3-Chloro-4-[(isopropyl amino)sulfonyl]benzoic acid
IUPAC
3-chloro-4-(propan-2-ylsulfamoyl)benzoic acid

Names & synonyms

SCHEMBL3523438TXDRPWHVVXWLIB-UHFFFAOYSA-N3-chloro-4-[(isopropyl amino)sulfonyl]benzoic acid

Database identifiers

PubChem CID
68675933

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
91.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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