4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide

C12H19FN2O2S — CID 113471557

IUPAC4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H19FN2O2S/c1-4-7-12(2,3)15-18(16,17)9-5-6-11(14)10(13)8-9/h5-6,8,15H,4,7,14H2,1-3H3
InChIKeyIRQCGKLBRWEHIT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.26
Rot. Bonds5

About 4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide

4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide (PubChem CID 113471557) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide
PubChem CID113471557
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H19FN2O2S/c1-4-7-12(2,3)15-18(16,17)9-5-6-11(14)10(13)8-9/h5-6,8,15H,4,7,14H2,1-3H3
InChIKeyIRQCGKLBRWEHIT-UHFFFAOYSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide 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-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587
4-amino-N-tert-butyl-3-fluorobenzenesulfonamide;N-tert-butyl-3-fluoro-4-nitrobenzenesulfonamide
CID 167662784
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
2-amino-N-(2-methylpentan-2-yl)pyrimidine-5-sulfonamide
CID 113471995
4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide
CID 82845720
N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 91659844
4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 49460708
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide (CID 113471557) is 4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide is CCCC(C)(C)NS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is IRQCGKLBRWEHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-4-7-12(2,3)15-18(16,17)9-5-6-11(14)10(13)8-9/h5-6,8,15H,4,7,14H2,1-3H3.
What are the key properties of 4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide?
4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 2.26, 5 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-(2-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113471557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).