1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide

C18H19FN2O3S — CID 2990599

IUPAC1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H19FN2O3S/c19-16-10-4-5-11-17(16)20-18(22)14-7-6-12-21(13-14)25(23,24)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,20,22)
InChIKeyWVYOMKWPPCQJDQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.87
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide (PubChem CID 2990599) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide
PubChem CID2990599
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H19FN2O3S/c19-16-10-4-5-11-17(16)20-18(22)14-7-6-12-21(13-14)25(23,24)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,20,22)
InChIKeyWVYOMKWPPCQJDQ-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide (CID 2990599) is 1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is WVYOMKWPPCQJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-16-10-4-5-11-17(16)20-18(22)14-7-6-12-21(13-14)25(23,24)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 2990599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).