2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

C18H20ClN3O3S — CID 2250493

IUPAC2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H20ClN3O3S/c19-17-7-6-15(26(24,25)22-9-2-1-3-10-22)11-16(17)18(23)21-13-14-5-4-8-20-12-14/h4-8,11-12H,1-3,9-10,13H2,(H,21,23)
InChIKeyIBJBQDWFMWYIDM-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.84
Rot. Bonds5

About 2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2250493) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2250493
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H20ClN3O3S/c19-17-7-6-15(26(24,25)22-9-2-1-3-10-22)11-16(17)18(23)21-13-14-5-4-8-20-12-14/h4-8,11-12H,1-3,9-10,13H2,(H,21,23)
InChIKeyIBJBQDWFMWYIDM-UHFFFAOYSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
2-Chloro-N-pyridin-3-yl-5-(pyrrolidine-1-sulfonyl)-benzamide
CID 1316771
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 3361061
1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 649951
8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid amide
CID 10072535
3,6-dichloro-2-fluoro-N-((1-(propylsulfonyl)-4-(pyridine-2-yL)piperidin-4-yl)methyl)benzamide
CID 11155673
2-chloro-N-((4-(6-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11503316
2,6-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11503732
(S)-2,4-dichloro-N-(1-(1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)ethyl)benzamide
CID 11503999
2-chloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11517722

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (CID 2250493) is 2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is IBJBQDWFMWYIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-17-7-6-15(26(24,25)22-9-2-1-3-10-22)11-16(17)18(23)21-13-14-5-4-8-20-12-14/h4-8,11-12H,1-3,9-10,13H2,(H,21,23).
What are the key properties of 2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 393.90 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2250493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).