2-chloro-N-{[2'-(cyanosulfamoyl)-[1,1'-biphenyl]-4-yl]methyl}-N-[(4-methylphenyl)methyl]benzamide

2-chloro-N-{[2'-(cyanosulfamoyl)-[1,1'-biphenyl]-4-yl]methyl}-N-[(4-methylphenyl)methyl]benzamide

CAS: 1019331-10-2

Formula: C29H24ClN3O3S

SMILES: CC1=CC=C(CN(CC2=CC=C(C=C2)C2=CC=CC=C2S(=O)(=O)NC#N)C(=O)C2=CC=CC=C2Cl)C=C1

IUPAC: 2-chloro-N-{[2'-(cyanosulfamoyl)-[1,1'-biphenyl]-4-yl]methyl}-N-[(4-methylphenyl)methyl]benzamide

InChI: InChI=1S/C29H24ClN3O3S/c1-21-10-12-22(13-11-21)18-33(29(34)26-7-2-4-8-27(26)30)19-23-14-16-24(17-15-23)25-6-3-5-9-28(25)37(35,36)32-20-31/h2-17,32H,18-19H2,1H3

Composition: C (65.72%), H (4.56%), Cl (6.69%), N (7.93%), O (9.06%), S (6.05%)

Molar Mass: 530.04

Atom Count: 61

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	529.1226905
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ITDBPOSLOROLMT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	147.15
Topological Polar Surface Area	90.27
Polarizability	57.57
Ring Count	4
Rotatable Bond Count	7

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