1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide

C17H19N3O3S — CID 4086847

IUPAC1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H19N3O3S/c21-17(19-15-7-4-10-18-12-15)14-6-5-11-20(13-14)24(22,23)16-8-2-1-3-9-16/h1-4,7-10,12,14H,5-6,11,13H2,(H,19,21)
InChIKeyVUGIAQARAAZZAA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.12
Rot. Bonds4

About 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide

1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide (PubChem CID 4086847) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide
PubChem CID4086847
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H19N3O3S/c21-17(19-15-7-4-10-18-12-15)14-6-5-11-20(13-14)24(22,23)16-8-2-1-3-9-16/h1-4,7-10,12,14H,5-6,11,13H2,(H,19,21)
InChIKeyVUGIAQARAAZZAA-UHFFFAOYSA-N
XLogP2.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]acetamide
CID 720105
Sulfonamide deriv., 7g
CID 44520903
Sulfonamide deriv., 7h
CID 44520904
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
2-[Methyl-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 925262
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 3956211
2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide
CID 4878270
N-(2-{4-[(3-pyridinylamino)sulfonyl]phenyl}ethyl)acetamide
CID 269224

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide (CID 4086847) is 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide is O=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The InChIKey is VUGIAQARAAZZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(19-15-7-4-10-18-12-15)14-6-5-11-20(13-14)24(22,23)16-8-2-1-3-9-16/h1-4,7-10,12,14H,5-6,11,13H2,(H,19,21).
What are the key properties of 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 4086847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).