4-chloro-N-[2-(4-methanesulfonylpiperazin-1-yl)phenyl]benzamide

4-chloro-N-[2-(4-methanesulfonylpiperazin-1-yl)phenyl]benzamide

CAS: 478260-31-0

Formula: C18H20ClN3O3S

SMILES: CS(=O)(=O)N1CCN(CC1)C1=C(NC(=O)C2=CC=C(Cl)C=C2)C=CC=C1

IUPAC: 4-chloro-N-[2-(4-methanesulfonylpiperazin-1-yl)phenyl]benzamide

InChI: InChI=1S/C18H20ClN3O3S/c1-26(24,25)22-12-10-21(11-13-22)17-5-3-2-4-16(17)20-18(23)14-6-8-15(19)9-7-14/h2-9H,10-13H2,1H3,(H,20,23)

Composition: C (54.89%), H (5.12%), Cl (9.00%), N (10.67%), O (12.19%), S (8.14%)

Molar Mass: 393.89

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	393.0913904
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZRYZIAVMCILNBY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.75
Topological Polar Surface Area	69.72
Polarizability	39.78
Ring Count	3
Rotatable Bond Count	3

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