1-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoyl}-4-(4-chlorophenyl)piperazine

1-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoyl}-4-(4-chlorophenyl)piperazine

CAS: 337921-09-2

Formula: C24H21Cl2N3O5S

SMILES: [O-][N+](=O)C1=C(CS(=O)(=O)C2=CC=C(Cl)C=C2)C=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C(Cl)C=C1

IUPAC: 1-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoyl}-4-(4-chlorophenyl)piperazine

InChI: InChI=1S/C24H21Cl2N3O5S/c25-19-2-6-21(7-3-19)27-11-13-28(14-12-27)24(30)17-1-10-23(29(31)32)18(15-17)16-35(33,34)22-8-4-20(26)5-9-22/h1-10,15H,11-14,16H2

Composition: C (53.94%), H (3.96%), Cl (13.27%), N (7.86%), O (14.97%), S (6.00%)

Molar Mass: 534.41

Atom Count: 56

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	533.0578974
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	CLAXZSBFVKMVGP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	135.94
Topological Polar Surface Area	100.83
Polarizability	51.8
Ring Count	4
Rotatable Bond Count	6

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90%	<2 Days	337921-09-2		$51.35-$86.31$51.35$63.37$86.31