N-(4-bromophenyl)-5-(4-methylbenzenesulfonamido)-2H-1,2,3-triazole-4-carboxamide

N-(4-bromophenyl)-5-(4-methylbenzenesulfonamido)-2H-1,2,3-triazole-4-carboxamide

Formula: C16H14BrN5O3S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC1=NNN=C1C(=O)NC1=CC=C(Br)C=C1

IUPAC: N-(4-bromophenyl)-5-(4-methylbenzenesulfonamido)-2H-1,2,3-triazole-4-carboxamide

InChI: InChI=1S/C16H14BrN5O3S/c1-10-2-8-13(9-3-10)26(24,25)21-15-14(19-22-20-15)16(23)18-12-6-4-11(17)5-7-12/h2-9H,1H3,(H,18,23)(H2,19,20,21,22)

Composition: C (44.05%), H (3.23%), Br (18.31%), N (16.05%), O (11.00%), S (7.35%)

Molar Mass: 436.28

Atom Count: 40

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	435.000074
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	OHPSBVZWKNQWQR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.65
Topological Polar Surface Area	116.84
Polarizability	38.43
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14BrN5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00