4-methanesulfonamido-N-{4-[(3-methylphenyl)sulfamoyl]phenyl}benzamide

4-methanesulfonamido-N-{4-[(3-methylphenyl)sulfamoyl]phenyl}benzamide

Formula: C21H21N3O5S2

SMILES: CC1=CC=CC(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=C(NS(C)(=O)=O)C=C3)C=C2)=C1

IUPAC: 4-methanesulfonamido-N-{4-[(3-methylphenyl)sulfamoyl]phenyl}benzamide

InChI: InChI=1S/C21H21N3O5S2/c1-15-4-3-5-19(14-15)24-31(28,29)20-12-10-17(11-13-20)22-21(25)16-6-8-18(9-7-16)23-30(2,26)27/h3-14,23-24H,1-2H3,(H,22,25)

Composition: C (54.89%), H (4.61%), N (9.14%), O (17.41%), S (13.95%)

Molar Mass: 459.54

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	459.092263136
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	YSGCPXFXRQSFJG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.15
Topological Polar Surface Area	121.44
Polarizability	46.74
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21N3O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00