2-(3-oxopiperazin-1-ylsulfonyl)benzonitrile

2-(3-oxopiperazin-1-ylsulfonyl)benzonitrile

Formula: C11H11N3O3S

SMILES: O=C1CN(CCN1)S(=O)(=O)C1=C(C=CC=C1)C#N

IUPAC: 2-[(3-oxopiperazin-1-yl)sulfonyl]benzonitrile

InChI: InChI=1S/C11H11N3O3S/c12-7-9-3-1-2-4-10(9)18(16,17)14-6-5-13-11(15)8-14/h1-4H,5-6,8H2,(H,13,15)

Composition: C (49.80%), H (4.18%), N (15.84%), O (18.09%), S (12.09%)

Molar Mass: 265.29

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	265.0521124
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KRLYHSXJYWJVGQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.57
Topological Polar Surface Area	90.27
Polarizability	25.37
Ring Count	2
Rotatable Bond Count	1

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C11H11N3O3S		$1,460.00-$3,080.00$1,460.00$3,080.00