2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

C14H19F2NO2S — CID 60545461

IUPAC2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H19F2NO2S/c1-10-3-6-12(7-4-10)17(2)20(18,19)14-9-11(15)5-8-13(14)16/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyRPEKDZOUXAYSPV-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.16
Rot. Bonds3

About 2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 60545461) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID60545461
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H19F2NO2S/c1-10-3-6-12(7-4-10)17(2)20(18,19)14-9-11(15)5-8-13(14)16/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyRPEKDZOUXAYSPV-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-bromo-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 116529919
4-(chloromethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79177446
4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79179448
methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
CID 113230618
3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 103050830
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
CID 102921048
N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577623
2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919407
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116751
N-cyclohexyl-N-ethyl-2,5-difluorobenzenesulfonamide
CID 60516548
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 102919775

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (CID 60545461) is 2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is CC1CCC(N(C)S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is RPEKDZOUXAYSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-10-3-6-12(7-4-10)17(2)20(18,19)14-9-11(15)5-8-13(14)16/h5,8-10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 303.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 60545461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).