Compound C22H19NO4S

2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

CAS: 191326-92-8

Molecular Formula	`C22H19NO4S`
Molecular Weight	393.5 g/mol
LogP	3.9
Topological Polar Surface Area	83.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	393.1035
Heavy Atoms	28
Complexity	644.0

Chemical Identifiers

CAS Number	191326-92-8
SMILES	`C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O`
InChIKey	`BNVMUDXGABBWGP-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H19NO4S (CAS: 191326-92-8) is a chemical compound with molecular formula C22H19NO4S and molecular weight 393.5 g/mol. Its IUPAC systematic name is 2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid. LogP 3.9 Topological Polar Surface Area 83.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 393.1035 Heavy Atoms 28 Complexity 644.0 InChI Key: BNVMUDXGABBWGP-UHFFFAOYSA-N. SMILES: C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O.

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