1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide

C19H22N2O3S — CID 4320284

IUPAC1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c22-19(20-15-16-9-3-1-4-10-16)18-13-7-8-14-21(18)25(23,24)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,20,22)
InChIKeyYZIUTPMHHAASEZ-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.55
Rot. Bonds5

About 1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide

1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide (PubChem CID 4320284) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
PubChem CID4320284
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c22-19(20-15-16-9-3-1-4-10-16)18-13-7-8-14-21(18)25(23,24)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,20,22)
InChIKeyYZIUTPMHHAASEZ-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide
CID 101173679
1-(benzenesulfonyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46581681
1-(benzenesulfonyl)-N-[(3-cyclopropylphenyl)methyl]pyrrolidine-2-carboxamide
CID 70941090
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
1-(benzenesulfonyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 43058785
(2S)-N-benzyl-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110286168
(2S)-1-(benzenesulfonyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 30837274
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 2973401
N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
CID 119626015

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide (CID 4320284) is 1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide is O=C(NCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide?
The InChIKey is YZIUTPMHHAASEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(20-15-16-9-3-1-4-10-16)18-13-7-8-14-21(18)25(23,24)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide?
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide is sourced from PubChem (CID 4320284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).