5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide

C15H23FN2O2S — CID 79901847

IUPAC5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(N)cc(F)c2C)C1C
InChIInChI=1S/C15H23FN2O2S/c1-4-11-5-6-14(9(11)2)18-21(19,20)15-8-12(17)7-13(16)10(15)3/h7-9,11,14,18H,4-6,17H2,1-3H3
InChIKeyJFGQODGRPUQANQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.82
Rot. Bonds4

About 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide

5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 79901847) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide
PubChem CID79901847
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(N)cc(F)c2C)C1C
InChIInChI=1S/C15H23FN2O2S/c1-4-11-5-6-14(9(11)2)18-21(19,20)15-8-12(17)7-13(16)10(15)3/h7-9,11,14,18H,4-6,17H2,1-3H3
InChIKeyJFGQODGRPUQANQ-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide (CID 79901847) is 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide is CCC1CCC(NS(=O)(=O)c2cc(N)cc(F)c2C)C1C.
What is the InChIKey of 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is JFGQODGRPUQANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-4-11-5-6-14(9(11)2)18-21(19,20)15-8-12(17)7-13(16)10(15)3/h7-9,11,14,18H,4-6,17H2,1-3H3.
What are the key properties of 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide?
5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethyl-2-methylcyclopentyl)-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 79901847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).