3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide

C17H19N3O3S — CID 812621

IUPAC3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H19N3O3S/c21-17(19-15-7-5-9-18-13-15)14-6-4-8-16(12-14)24(22,23)20-10-2-1-3-11-20/h4-9,12-13H,1-3,10-11H2,(H,19,21)
InChIKeyYMFOKEHORIJDBR-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.51
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide

3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide (PubChem CID 812621) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
PubChem CID812621
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H19N3O3S/c21-17(19-15-7-5-9-18-13-15)14-6-4-8-16(12-14)24(22,23)20-10-2-1-3-11-20/h4-9,12-13H,1-3,10-11H2,(H,19,21)
InChIKeyYMFOKEHORIJDBR-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848168
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193124
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
CID 26591861
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide (CID 812621) is 3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide?
The InChIKey is YMFOKEHORIJDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(19-15-7-5-9-18-13-15)14-6-4-8-16(12-14)24(22,23)20-10-2-1-3-11-20/h4-9,12-13H,1-3,10-11H2,(H,19,21).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide?
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide has a molecular weight of 345.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 812621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).