3-phenyl-1-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}urea

3-phenyl-1-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}urea

Formula: C19H18N4O5S2

SMILES: NS(=O)(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(NC(=O)NC3=CC=CC=C3)C=C2)C=C1

IUPAC: 3-phenyl-1-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}urea

InChI: InChI=1S/C19H18N4O5S2/c20-29(25,26)17-10-8-16(9-11-17)23-30(27,28)18-12-6-15(7-13-18)22-19(24)21-14-4-2-1-3-5-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24)

Composition: C (51.11%), H (4.06%), N (12.55%), O (17.92%), S (14.36%)

Molar Mass: 446.5

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	446.071862044
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
InChIKey	UCVTUFJBKIRJLF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.04
Topological Polar Surface Area	147.46
Polarizability	44.28
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18N4O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00