2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetic acid

HCID 809256

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Basic information

CAS: 6182-70-3
Standard SMILES: Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1Cl
InChIKey: FNSYMWOWCVYTOI-UHFFFAOYSA-N
Molecular formula: C15H14ClNO4S
Average molar mass: 339.8 g/mol
Monoisotopic mass: 339.0332068

Names & identifiers

Preferred name: 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetic acid
IUPAC: 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetic acid

Names & synonyms

6182-70-3n-(3-chloro-4-methylphenyl)-n-(phenylsulfonyl)glycineCBMicro_004649Oprea1_221558Oprea1_502688N-(Benzenesulfonyl)-N-(3-chloro-4-methylphenyl)glycineDTXSID709773912-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetic acidSMSF0016632CB06591BIM-0004524.P001

Database identifiers

CAS: 6182-70-3
PubChem CID: 809256
DTXSID: DTXSID70977391

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 484

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