3-piperidin-1-ylsulfonylbenzamide

C12H16N2O3S — CID 767920

IUPAC3-piperidin-1-ylsulfonylbenzamide
SMILESNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C12H16N2O3S/c13-12(15)10-5-4-6-11(9-10)18(16,17)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H2,13,15)
InChIKeyBXOQOQIDTYHJHJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.96
Rot. Bonds3

About 3-piperidin-1-ylsulfonylbenzamide

3-piperidin-1-ylsulfonylbenzamide (PubChem CID 767920) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonylbenzamide
PubChem CID767920
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-piperidin-1-ylsulfonylbenzamide
SMILESNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C12H16N2O3S/c13-12(15)10-5-4-6-11(9-10)18(16,17)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H2,13,15)
InChIKeyBXOQOQIDTYHJHJ-UHFFFAOYSA-N
XLogP0.96
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 3-piperidin-1-ylsulfonylbenzamide (CID 767920) is 3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonylbenzamide is NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is BXOQOQIDTYHJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c13-12(15)10-5-4-6-11(9-10)18(16,17)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H2,13,15).
What are the key properties of 3-piperidin-1-ylsulfonylbenzamide?
3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 767920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).