2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

C18H21N3O3S — CID 37172492

IUPAC2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H21N3O3S/c22-18(20-14-15-7-6-10-19-13-15)16-8-2-3-9-17(16)25(23,24)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,22)
InChIKeyZBJHDISAJSULJT-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.19
Rot. Bonds5

About 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 37172492) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID37172492
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H21N3O3S/c22-18(20-14-15-7-6-10-19-13-15)16-8-2-3-9-17(16)25(23,24)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,22)
InChIKeyZBJHDISAJSULJT-UHFFFAOYSA-N
XLogP2.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 37484983
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010140
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 71904706
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55798245

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (CID 37172492) is 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ZBJHDISAJSULJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18(20-14-15-7-6-10-19-13-15)16-8-2-3-9-17(16)25(23,24)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,22).
What are the key properties of 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 359.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 37172492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).