N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C14H19FN2O3S — CID 40630207

IUPACN-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O3S/c1-2-16-14(18)11-7-9-17(10-8-11)21(19,20)13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyMDMWEOFFUKDING-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.36
Rot. Bonds4

About N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 40630207) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID40630207
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O3S/c1-2-16-14(18)11-7-9-17(10-8-11)21(19,20)13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyMDMWEOFFUKDING-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55535881
1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119450805
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119573293
1-(2-fluorophenyl)sulfonyl-N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-4-carboxamide
CID 39512997
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 40630207) is N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MDMWEOFFUKDING-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-2-16-14(18)11-7-9-17(10-8-11)21(19,20)13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3,(H,16,18).
What are the key properties of N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 40630207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).