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

C18H20FN3O3S — CID 4785913

IUPAC1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H20FN3O3S/c19-16-6-1-2-7-17(16)26(24,25)22-11-8-14(9-12-22)18(23)21-13-15-5-3-4-10-20-15/h1-7,10,14H,8-9,11-13H2,(H,21,23)
InChIKeyXVZCORMCXSPVKM-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.94
Rot. Bonds5

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

1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 4785913) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID4785913
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H20FN3O3S/c19-16-6-1-2-7-17(16)26(24,25)22-11-8-14(9-12-22)18(23)21-13-15-5-3-4-10-20-15/h1-7,10,14H,8-9,11-13H2,(H,21,23)
InChIKeyXVZCORMCXSPVKM-UHFFFAOYSA-N
XLogP1.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.94
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-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 4785913) is 1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is XVZCORMCXSPVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-16-6-1-2-7-17(16)26(24,25)22-11-8-14(9-12-22)18(23)21-13-15-5-3-4-10-20-15/h1-7,10,14H,8-9,11-13H2,(H,21,23).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 1.94, 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-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 4785913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).