1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C12H15FN2O3S — CID 581405

IUPAC1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)19(17,18)15-7-1-2-9(8-15)12(14)16/h3-6,9H,1-2,7-8H2,(H2,14,16)
InChIKeyKNOANJDBMHJVOT-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.71
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 581405) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID581405
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)19(17,18)15-7-1-2-9(8-15)12(14)16/h3-6,9H,1-2,7-8H2,(H2,14,16)
InChIKeyKNOANJDBMHJVOT-UHFFFAOYSA-N
XLogP0.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 581405) is 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is KNOANJDBMHJVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)19(17,18)15-7-1-2-9(8-15)12(14)16/h3-6,9H,1-2,7-8H2,(H2,14,16).
What are the key properties of 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 581405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).