Compound C15H13ClN2O6S

4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid

CAS: 72020-11-2

Molecular Formula	`C15H13ClN2O6S`
Molecular Weight	384.8 g/mol
LogP	2.7
Topological Polar Surface Area	152.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	384.01828
Heavy Atoms	25
Complexity	594.0

Chemical Identifiers

CAS Number	72020-11-2
SMILES	`C1=CC(=CC=C1CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])Cl`
InChIKey	`GKWAOCARIKELOU-UHFFFAOYSA-N`

📖 Product Overview

Compound C15H13ClN2O6S (CAS: 72020-11-2) is a chemical compound with molecular formula C15H13ClN2O6S and molecular weight 384.8 g/mol. Its IUPAC systematic name is 4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid. LogP 2.7 Topological Polar Surface Area 152.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 384.01828 Heavy Atoms 25 Complexity 594.0 InChI Key: GKWAOCARIKELOU-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])Cl.

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