1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide

C16H19FN4O3S — CID 26687030

IUPAC1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C16H19FN4O3S/c1-20-9-8-15(19-20)18-16(22)12-6-10-21(11-7-12)25(23,24)14-5-3-2-4-13(14)17/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,18,19,22)
InChIKeyVCYDONBJXOWPJU-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.60
Rot. Bonds4

About 1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 26687030) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
PubChem CID26687030
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C16H19FN4O3S/c1-20-9-8-15(19-20)18-16(22)12-6-10-21(11-7-12)25(23,24)14-5-3-2-4-13(14)17/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,18,19,22)
InChIKeyVCYDONBJXOWPJU-UHFFFAOYSA-N
XLogP1.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide (CID 26687030) is 1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide is Cn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is VCYDONBJXOWPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-20-9-8-15(19-20)18-16(22)12-6-10-21(11-7-12)25(23,24)14-5-3-2-4-13(14)17/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,18,19,22).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 26687030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).