3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide

C19H23N3O3S — CID 51194004

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)C1
InChIInChI=1S/C19H23N3O3S/c1-14-10-15(2)13-22(12-14)26(24,25)17-7-5-6-16(11-17)19(23)21-18-8-3-4-9-20-18/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,20,21,23)
InChIKeyKLRYXFPKTIYVQK-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.00
Rot. Bonds4

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide (PubChem CID 51194004) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
PubChem CID51194004
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)C1
InChIInChI=1S/C19H23N3O3S/c1-14-10-15(2)13-22(12-14)26(24,25)17-7-5-6-16(11-17)19(23)21-18-8-3-4-9-20-18/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,20,21,23)
InChIKeyKLRYXFPKTIYVQK-UHFFFAOYSA-N
XLogP3.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
CID 35034712
3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 1326475
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55766235
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2347527
N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 16548323
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46424040
N-(4-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46797436
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 40896968
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 55347661

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide (CID 51194004) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide?
The InChIKey is KLRYXFPKTIYVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-10-15(2)13-22(12-14)26(24,25)17-7-5-6-16(11-17)19(23)21-18-8-3-4-9-20-18/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,20,21,23).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 51194004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).