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

C18H21N3O3S — CID 2666416

IUPAC3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H21N3O3S/c22-18(20-14-16-8-2-3-10-19-16)15-7-6-9-17(13-15)25(23,24)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,22)
InChIKeyHUMSALVCEQVEFE-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.19
Rot. Bonds5

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

3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 2666416) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID2666416
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H21N3O3S/c22-18(20-14-16-8-2-3-10-19-16)15-7-6-9-17(13-15)25(23,24)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,22)
InChIKeyHUMSALVCEQVEFE-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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (CID 2666416) is 3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is HUMSALVCEQVEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18(20-14-16-8-2-3-10-19-16)15-7-6-9-17(13-15)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 3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
3-piperidin-1-ylsulfonyl-N-(pyridin-2-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 3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 2666416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).