4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide

C31H34ClFN4O4S — CID 166348194

IUPAC4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C31H34ClFN4O4S/c1-21-19-24(31(39)37-14-4-3-5-22(37)2)7-13-28(21)34-30(38)23-6-12-27(32)29(20-23)42(40,41)36-17-15-35(16-18-36)26-10-8-25(33)9-11-26/h6-13,19-20,22H,3-5,14-18H2,1-2H3,(H,34,38)
InChIKeyYPDQOXMMWVJJLT-UHFFFAOYSA-N
MW613.16 g/mol
LogP5.57
Rot. Bonds6

About 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide

4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 166348194) has the molecular formula C31H34ClFN4O4S and a molecular weight of 613.16 g/mol. Its IUPAC name is 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID166348194
Molecular FormulaC31H34ClFN4O4S
Molecular Weight613.16 g/mol
Exact Mass612.20
IUPAC Name4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C31H34ClFN4O4S/c1-21-19-24(31(39)37-14-4-3-5-22(37)2)7-13-28(21)34-30(38)23-6-12-27(32)29(20-23)42(40,41)36-17-15-35(16-18-36)26-10-8-25(33)9-11-26/h6-13,19-20,22H,3-5,14-18H2,1-2H3,(H,34,38)
InChIKeyYPDQOXMMWVJJLT-UHFFFAOYSA-N
XLogP5.57
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.16
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 7719605
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone chloride
CID 53350574
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 3262769
4-chloro-N-(2-chloro-4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26693077
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-propylbenzamide
CID 27256223
N-(4-fluoro-2-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 26239928
N-butan-2-yl-4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 55334658
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26359533
4-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 30857697

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 166348194) is 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide is Cc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is YPDQOXMMWVJJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClFN4O4S/c1-21-19-24(31(39)37-14-4-3-5-22(37)2)7-13-28(21)34-30(38)23-6-12-27(32)29(20-23)42(40,41)36-17-15-35(16-18-36)26-10-8-25(33)9-11-26/h6-13,19-20,22H,3-5,14-18H2,1-2H3,(H,34,38).
What are the key properties of 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide?
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 613.16 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 166348194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).