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

C13H19FN2O2S — CID 29051765

IUPAC2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(F)cc2N)CC1
InChIInChI=1S/C13H19FN2O2S/c1-9-2-5-11(6-3-9)16-19(17,18)13-7-4-10(14)8-12(13)15/h4,7-9,11,16H,2-3,5-6,15H2,1H3
InChIKeyGXRCTSZSABWNCN-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide

2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 29051765) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID29051765
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(F)cc2N)CC1
InChIInChI=1S/C13H19FN2O2S/c1-9-2-5-11(6-3-9)16-19(17,18)13-7-4-10(14)8-12(13)15/h4,7-9,11,16H,2-3,5-6,15H2,1H3
InChIKeyGXRCTSZSABWNCN-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide (CID 29051765) is 2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(F)cc2N)CC1.
What is the InChIKey of 2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is GXRCTSZSABWNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9-2-5-11(6-3-9)16-19(17,18)13-7-4-10(14)8-12(13)15/h4,7-9,11,16H,2-3,5-6,15H2,1H3.
What are the key properties of 2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide?
2-amino-4-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 2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 29051765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).