N-{4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl}-4-methanesulfonamidobenzamide

N-{4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl}-4-methanesulfonamidobenzamide

Formula: C21H20ClN3O5S2

SMILES: CC1=C(Cl)C=CC=C1NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C=C1

IUPAC: N-{4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl}-4-methanesulfonamidobenzamide

InChI: InChI=1S/C21H20ClN3O5S2/c1-14-19(22)4-3-5-20(14)25-32(29,30)18-12-10-16(11-13-18)23-21(26)15-6-8-17(9-7-15)24-31(2,27)28/h3-13,24-25H,1-2H3,(H,23,26)

Composition: C (51.06%), H (4.08%), Cl (7.18%), N (8.51%), O (16.19%), S (12.98%)

Molar Mass: 493.98

Atom Count: 52

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	493.0532908
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	WFDXAEFMXYWOGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.95
Topological Polar Surface Area	121.44
Polarizability	48.65
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20ClN3O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00