4-(benzenesulfonyl)benzoic acid

4-(benzenesulfonyl)benzoic acid

CAS: 5361-54-6

Formula: C13H10O4S

SMILES: OC(=O)C1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1

IUPAC: 4-(benzenesulfonyl)benzoic acid

InChI: InChI=1S/C13H10O4S/c14-13(15)10-6-8-12(9-7-10)18(16,17)11-4-2-1-3-5-11/h1-9H,(H,14,15)

Composition: C (59.53%), H (3.84%), O (24.40%), S (12.22%)

Molar Mass: 262.28

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	262.029979976
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PKXDNBNSQBZKFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.85
Topological Polar Surface Area	71.44
Polarizability	26.72
Ring Count	2
Rotatable Bond Count	3

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Kinentia Biosciences LLC

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