1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C17H19FN2O3S2 — CID 4882031

IUPAC1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H19FN2O3S2/c18-15-5-1-2-6-16(15)25(22,23)20-9-7-13(8-10-20)17(21)19-12-14-4-3-11-24-14/h1-6,11,13H,7-10,12H2,(H,19,21)
InChIKeyLBXKDDXIJJAXGY-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.60
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 4882031) has the molecular formula C17H19FN2O3S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID4882031
Molecular FormulaC17H19FN2O3S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H19FN2O3S2/c18-15-5-1-2-6-16(15)25(22,23)20-9-7-13(8-10-20)17(21)19-12-14-4-3-11-24-14/h1-6,11,13H,7-10,12H2,(H,19,21)
InChIKeyLBXKDDXIJJAXGY-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 4882031) is 1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LBXKDDXIJJAXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S2/c18-15-5-1-2-6-16(15)25(22,23)20-9-7-13(8-10-20)17(21)19-12-14-4-3-11-24-14/h1-6,11,13H,7-10,12H2,(H,19,21).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 4882031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).