N-[4-(cyanomethyl)phenyl]-4-methanesulfonamidobenzamide

N-[4-(cyanomethyl)phenyl]-4-methanesulfonamidobenzamide

Formula: C16H15N3O3S

SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC1=CC=C(CC#N)C=C1

IUPAC: N-[4-(cyanomethyl)phenyl]-4-methanesulfonamidobenzamide

InChI: InChI=1S/C16H15N3O3S/c1-23(21,22)19-15-8-4-13(5-9-15)16(20)18-14-6-2-12(3-7-14)10-11-17/h2-9,19H,10H2,1H3,(H,18,20)

Composition: C (58.35%), H (4.59%), N (12.76%), O (14.57%), S (9.73%)

Molar Mass: 329.37

Atom Count: 38

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	329.083412529
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AYWSWKRHAVPGEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.56
Topological Polar Surface Area	99.06
Polarizability	33.62
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00