1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide

C14H19FN2O3S — CID 2953659

IUPAC1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C14H19FN2O3S/c1-2-21(19,20)17-8-6-11(7-9-17)14(18)16-13-5-3-4-12(15)10-13/h3-5,10-11H,2,6-9H2,1H3,(H,16,18)
InChIKeyJKWXLKKCMBMDDN-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.83
Rot. Bonds4

About 1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 2953659) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID2953659
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C14H19FN2O3S/c1-2-21(19,20)17-8-6-11(7-9-17)14(18)16-13-5-3-4-12(15)10-13/h3-5,10-11H,2,6-9H2,1H3,(H,16,18)
InChIKeyJKWXLKKCMBMDDN-UHFFFAOYSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 2953659) is 1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is JKWXLKKCMBMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-2-21(19,20)17-8-6-11(7-9-17)14(18)16-13-5-3-4-12(15)10-13/h3-5,10-11H,2,6-9H2,1H3,(H,16,18).
What are the key properties of 1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2953659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).