1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide

C23H26ClN3O4S — CID 55786168

IUPAC1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClN3O4S/c1-15-4-5-16(22(28)25-19-8-9-19)13-21(15)26-23(29)17-3-2-12-27(14-17)32(30,31)20-10-6-18(24)7-11-20/h4-7,10-11,13,17,19H,2-3,8-9,12,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyUYYPVWYDIIKRSZ-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.58
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide (PubChem CID 55786168) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide
PubChem CID55786168
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClN3O4S/c1-15-4-5-16(22(28)25-19-8-9-19)13-21(15)26-23(29)17-3-2-12-27(14-17)32(30,31)20-10-6-18(24)7-11-20/h4-7,10-11,13,17,19H,2-3,8-9,12,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyUYYPVWYDIIKRSZ-UHFFFAOYSA-N
XLogP3.58
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide 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

(3S)-N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9272798
1-(4-chlorophenyl)sulfonyl-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133189442
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 40726995
1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431
(3R)-N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1081678
1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 5108975
N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 43042471
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133159453
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-3-carboxamide
CID 1283960
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide
CID 24622651

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide (CID 55786168) is 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide?
The InChIKey is UYYPVWYDIIKRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-15-4-5-16(22(28)25-19-8-9-19)13-21(15)26-23(29)17-3-2-12-27(14-17)32(30,31)20-10-6-18(24)7-11-20/h4-7,10-11,13,17,19H,2-3,8-9,12,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55786168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).