N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide

C14H18FNO3S — CID 31929476

IUPACN-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C14H18FNO3S/c1-20(18,19)11-7-8-12(15)13(9-11)16-14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyCDESZELLPMCHMI-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.75
Rot. Bonds3

About N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide

N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide (PubChem CID 31929476) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
PubChem CID31929476
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C14H18FNO3S/c1-20(18,19)11-7-8-12(15)13(9-11)16-14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyCDESZELLPMCHMI-UHFFFAOYSA-N
XLogP2.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777994
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325
N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55429991
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 110361783
N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43708243
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide
CID 90165072

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide (CID 31929476) is N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide?
The InChIKey is CDESZELLPMCHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c1-20(18,19)11-7-8-12(15)13(9-11)16-14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide?
N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 31929476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).