4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide

C14H19F2NO3S — CID 64747563

IUPAC4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
SMILESCCC1CCC(Oc2ccc(S(N)(=O)=O)c(F)c2F)CC1
InChIInChI=1S/C14H19F2NO3S/c1-2-9-3-5-10(6-4-9)20-11-7-8-12(21(17,18)19)14(16)13(11)15/h7-10H,2-6H2,1H3,(H2,17,18,19)
InChIKeyGGZDSZKKRLKKGW-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.96
Rot. Bonds4

About 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide

4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide (PubChem CID 64747563) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
PubChem CID64747563
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
SMILESCCC1CCC(Oc2ccc(S(N)(=O)=O)c(F)c2F)CC1
InChIInChI=1S/C14H19F2NO3S/c1-2-9-3-5-10(6-4-9)20-11-7-8-12(21(17,18)19)14(16)13(11)15/h7-10H,2-6H2,1H3,(H2,17,18,19)
InChIKeyGGZDSZKKRLKKGW-UHFFFAOYSA-N
XLogP2.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
CID 64729054
3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide
CID 64748145
4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride
CID 64736683
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990440
4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide
CID 43342353
1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene
CID 174722829
2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82917581
[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532709
2-amino-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 79466437
2-(2,3-difluoro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82914724
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431
3-(4-ethylcyclohexyl)oxy-4-methylaniline
CID 64749047

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide?
The IUPAC name of 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide (CID 64747563) is 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide is CCC1CCC(Oc2ccc(S(N)(=O)=O)c(F)c2F)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide?
The InChIKey is GGZDSZKKRLKKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-2-9-3-5-10(6-4-9)20-11-7-8-12(21(17,18)19)14(16)13(11)15/h7-10H,2-6H2,1H3,(H2,17,18,19).
What are the key properties of 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide?
4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide has a molecular weight of 319.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 64747563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).