N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide

C13H18FNO2S — CID 78786922

IUPACN-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2S/c1-15(12-7-3-2-4-8-12)18(16,17)13-9-5-6-11(14)10-13/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyMLKFXFQHNVVBGJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds3

About N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide

N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 78786922) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
PubChem CID78786922
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2S/c1-15(12-7-3-2-4-8-12)18(16,17)13-9-5-6-11(14)10-13/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyMLKFXFQHNVVBGJ-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide
CID 55476609
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43267394
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
CID 112812725
3-fluoro-N-methyl-N-[(4R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-4-yl]benzenesulfonamide
CID 92634917
3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide
CID 110248491
3-fluoro-N-methyl-N-[1-(2-phenylbenzoyl)azepan-4-yl]benzenesulfonamide
CID 110148504
3-fluoro-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30934964
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442993

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide (CID 78786922) is N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is MLKFXFQHNVVBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-15(12-7-3-2-4-8-12)18(16,17)13-9-5-6-11(14)10-13/h5-6,9-10,12H,2-4,7-8H2,1H3.
What are the key properties of N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide?
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 78786922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).