4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide

C13H19FN2O2S — CID 82843999

IUPAC4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C13H19FN2O2S/c1-9-2-4-10(5-3-9)16-19(17,18)11-6-7-13(15)12(14)8-11/h6-10,16H,2-5,15H2,1H3
InChIKeyPHEZNXFWSUZCGG-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.26
Rot. Bonds3

About 4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide

4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 82843999) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID82843999
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C13H19FN2O2S/c1-9-2-4-10(5-3-9)16-19(17,18)11-6-7-13(15)12(14)8-11/h6-10,16H,2-5,15H2,1H3
InChIKeyPHEZNXFWSUZCGG-UHFFFAOYSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide
CID 82845720
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
4-amino-3-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 82844106
4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213611
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 28545115
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119970503
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide (CID 82843999) is 4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is PHEZNXFWSUZCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9-2-4-10(5-3-9)16-19(17,18)11-6-7-13(15)12(14)8-11/h6-10,16H,2-5,15H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide?
4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 82843999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).