3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide

C23H22FN3O3S — CID 95809420

IUPAC3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1
InChIInChI=1S/C23H22FN3O3S/c24-19-9-11-20(12-10-19)31(29,30)27-13-3-6-18(15-27)22-8-2-7-21(26-22)16-4-1-5-17(14-16)23(25)28/h1-2,4-5,7-12,14,18H,3,6,13,15H2,(H2,25,28)/t18-/m0/s1
InChIKeyDYGBOLBXWAFGEP-SFHVURJKSA-N
MW439.51 g/mol
LogP3.55
Rot. Bonds5

About 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide

3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide (PubChem CID 95809420) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
PubChem CID95809420
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1
InChIInChI=1S/C23H22FN3O3S/c24-19-9-11-20(12-10-19)31(29,30)27-13-3-6-18(15-27)22-8-2-7-21(26-22)16-4-1-5-17(14-16)23(25)28/h1-2,4-5,7-12,14,18H,3,6,13,15H2,(H2,25,28)/t18-/m0/s1
InChIKeyDYGBOLBXWAFGEP-SFHVURJKSA-N
XLogP3.55
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]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

3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249555
3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809940
3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
CID 110249975
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
3-[6-[(3S)-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 95810732
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249773
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819022
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine
CID 95839090

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide (CID 95809420) is 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide is NC(=O)c1cccc(-c2cccc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1.
What is the InChIKey of 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is DYGBOLBXWAFGEP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c24-19-9-11-20(12-10-19)31(29,30)27-13-3-6-18(15-27)22-8-2-7-21(26-22)16-4-1-5-17(14-16)23(25)28/h1-2,4-5,7-12,14,18H,3,6,13,15H2,(H2,25,28)/t18-/m0/s1.
What are the key properties of 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide?
3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 439.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 95809420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).