3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide

C18H21N3O3S — CID 1326475

IUPAC3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)CC1
InChIInChI=1S/C18H21N3O3S/c1-14-8-11-21(12-9-14)25(23,24)16-6-4-5-15(13-16)18(22)20-17-7-2-3-10-19-17/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,19,20,22)
InChIKeyKBTNNPFOJORJSO-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.75
Rot. Bonds4

About 3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide

3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide (PubChem CID 1326475) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
PubChem CID1326475
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)CC1
InChIInChI=1S/C18H21N3O3S/c1-14-8-11-21(12-9-14)25(23,24)16-6-4-5-15(13-16)18(22)20-17-7-2-3-10-19-17/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,19,20,22)
InChIKeyKBTNNPFOJORJSO-UHFFFAOYSA-N
XLogP2.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
CID 35034712
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
CID 6503383
3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 23821912
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164
N-ethyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 3241862
3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 109063452
N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
CID 2953885
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide
CID 50794842
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide (CID 1326475) is 3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide is CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide?
The InChIKey is KBTNNPFOJORJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-8-11-21(12-9-14)25(23,24)16-6-4-5-15(13-16)18(22)20-17-7-2-3-10-19-17/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,19,20,22).
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide?
3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide has a molecular weight of 359.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 1326475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).