1-(4-chlorobenzenesulfonyl)-4-[(4-nitrophenyl)methyl]piperazine

1-(4-chlorobenzenesulfonyl)-4-[(4-nitrophenyl)methyl]piperazine

Formula: C17H18ClN3O4S

SMILES: [O-][N+](=O)C1=CC=C(CN2CCN(CC2)S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1

IUPAC: 1-(4-chlorobenzenesulfonyl)-4-[(4-nitrophenyl)methyl]piperazine

InChI: InChI=1S/C17H18ClN3O4S/c18-15-3-7-17(8-4-15)26(24,25)20-11-9-19(10-12-20)13-14-1-5-16(6-2-14)21(22)23/h1-8H,9-13H2

Composition: C (51.58%), H (4.58%), Cl (8.96%), N (10.62%), O (16.17%), S (8.10%)

Molar Mass: 395.86

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	395.0706549
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	CJQOEZBDFGTZAQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.8
Topological Polar Surface Area	83.76
Polarizability	39
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18ClN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00