3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide

C13H15F2NO3S — CID 79119655

IUPAC3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
SMILESCN(C1CCC(=O)CC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2NO3S/c1-16(9-2-4-10(17)5-3-9)20(18,19)11-6-7-12(14)13(15)8-11/h6-9H,2-5H2,1H3
InChIKeyIJLXAKUTJYNITH-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.10
Rot. Bonds3

About 3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide

3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide (PubChem CID 79119655) has the molecular formula C13H15F2NO3S and a molecular weight of 303.33 g/mol. Its IUPAC name is 3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
PubChem CID79119655
Molecular FormulaC13H15F2NO3S
Molecular Weight303.33 g/mol
Exact Mass303.07
IUPAC Name3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
SMILESCN(C1CCC(=O)CC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2NO3S/c1-16(9-2-4-10(17)5-3-9)20(18,19)11-6-7-12(14)13(15)8-11/h6-9H,2-5H2,1H3
InChIKeyIJLXAKUTJYNITH-UHFFFAOYSA-N
XLogP2.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-nitro-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79118614
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
3-fluoro-4-[methyl-(4-oxocyclohexyl)amino]benzenesulfonamide
CID 79119967
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666
3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965840
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259
2-fluoro-5-[methyl(piperidin-4-yl)sulfamoyl]benzoic acid
CID 61403448
1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide
CID 47358758
N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79120226
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 91905238

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide (CID 79119655) is 3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide is CN(C1CCC(=O)CC1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide?
The InChIKey is IJLXAKUTJYNITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3S/c1-16(9-2-4-10(17)5-3-9)20(18,19)11-6-7-12(14)13(15)8-11/h6-9H,2-5H2,1H3.
What are the key properties of 3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide?
3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide has a molecular weight of 303.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide is sourced from PubChem (CID 79119655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).