1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide

C25H26N2O3S — CID 46438239

IUPAC1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C25H26N2O3S/c28-25(26-24(20-11-4-1-5-12-20)21-13-6-2-7-14-21)22-15-10-18-27(19-22)31(29,30)23-16-8-3-9-17-23/h1-9,11-14,16-17,22,24H,10,15,18-19H2,(H,26,28)
InChIKeyURUOHPWQWUIRRE-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.99
Rot. Bonds6

About 1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide

1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide (PubChem CID 46438239) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
PubChem CID46438239
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C25H26N2O3S/c28-25(26-24(20-11-4-1-5-12-20)21-13-6-2-7-14-21)22-15-10-18-27(19-22)31(29,30)23-16-8-3-9-17-23/h1-9,11-14,16-17,22,24H,10,15,18-19H2,(H,26,28)
InChIKeyURUOHPWQWUIRRE-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436
N-[(4-methoxyphenyl)-phenylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414462
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125071827
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(S)-(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 100669848
1-(benzenesulfonyl)-N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 46437870
(3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780299
(2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119028557
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71710466
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide (CID 46438239) is 1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide?
The InChIKey is URUOHPWQWUIRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-25(26-24(20-11-4-1-5-12-20)21-13-6-2-7-14-21)22-15-10-18-27(19-22)31(29,30)23-16-8-3-9-17-23/h1-9,11-14,16-17,22,24H,10,15,18-19H2,(H,26,28).
What are the key properties of 1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide?
1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide is sourced from PubChem (CID 46438239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).