1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide

C23H26N4O3S — CID 110279356

IUPAC1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESO=C(Nc1cnn(CCc2ccccc2)c1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H26N4O3S/c28-23(25-21-16-24-26(18-21)15-13-19-8-3-1-4-9-19)20-10-7-14-27(17-20)31(29,30)22-11-5-2-6-12-22/h1-6,8-9,11-12,16,18,20H,7,10,13-15,17H2,(H,25,28)
InChIKeyJCTNRQJDFZFEMC-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.17
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide (PubChem CID 110279356) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide
PubChem CID110279356
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESO=C(Nc1cnn(CCc2ccccc2)c1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H26N4O3S/c28-23(25-21-16-24-26(18-21)15-13-19-8-3-1-4-9-19)20-10-7-14-27(17-20)31(29,30)22-11-5-2-6-12-22/h1-6,8-9,11-12,16,18,20H,7,10,13-15,17H2,(H,25,28)
InChIKeyJCTNRQJDFZFEMC-UHFFFAOYSA-N
XLogP3.17
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]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-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471
1-(benzenesulfonyl)-N-[3-(4-hydroxyphenyl)propyl]piperidine-3-carboxamide
CID 86972828
1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 133167768
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide (CID 110279356) is 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide is O=C(Nc1cnn(CCc2ccccc2)c1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The InChIKey is JCTNRQJDFZFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-23(25-21-16-24-26(18-21)15-13-19-8-3-1-4-9-19)20-10-7-14-27(17-20)31(29,30)22-11-5-2-6-12-22/h1-6,8-9,11-12,16,18,20H,7,10,13-15,17H2,(H,25,28).
What are the key properties of 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 110279356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).