4-benzenesulfonamidobenzoic acid

4-benzenesulfonamidobenzoic acid

CAS: 28547-16-2

Formula: C13H11NO4S

SMILES: OC(=O)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1

IUPAC: 4-benzenesulfonamidobenzoic acid

InChI: InChI=1S/C13H11NO4S/c15-13(16)10-6-8-11(9-7-10)14-19(17,18)12-4-2-1-3-5-12/h1-9,14H,(H,15,16)

Composition: C (56.31%), H (4.00%), N (5.05%), O (23.08%), S (11.56%)

Molar Mass: 277.29

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	277.040879012
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	YAGOYAVZOJQMRT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.15
Topological Polar Surface Area	83.47
Polarizability	27.55
Ring Count	2
Rotatable Bond Count	3

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