1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide

C22H23ClN4O3S — CID 55668435

IUPAC1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H23ClN4O3S/c1-16-13-21(27(25-16)19-9-5-8-18(23)14-19)24-22(28)17-7-6-12-26(15-17)31(29,30)20-10-3-2-4-11-20/h2-5,8-11,13-14,17H,6-7,12,15H2,1H3,(H,24,28)
InChIKeyPHWRADMWYUGIKL-UHFFFAOYSA-N
MW458.97 g/mol
LogP3.87
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 55668435) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
PubChem CID55668435
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC Name1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H23ClN4O3S/c1-16-13-21(27(25-16)19-9-5-8-18(23)14-19)24-22(28)17-7-6-12-26(15-17)31(29,30)20-10-3-2-4-11-20/h2-5,8-11,13-14,17H,6-7,12,15H2,1H3,(H,24,28)
InChIKeyPHWRADMWYUGIKL-UHFFFAOYSA-N
XLogP3.87
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 112822135
1-(benzenesulfonyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-3-carboxamide
CID 55668421
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623056
1-(benzenesulfonyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 55502873
1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide
CID 138992034
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55480734
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 42109687
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633108
(3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156165

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide (CID 55668435) is 1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
The InChIKey is PHWRADMWYUGIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-16-13-21(27(25-16)19-9-5-8-18(23)14-19)24-22(28)17-7-6-12-26(15-17)31(29,30)20-10-3-2-4-11-20/h2-5,8-11,13-14,17H,6-7,12,15H2,1H3,(H,24,28).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 458.97 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 55668435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).