4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide

C10H15FN2O2S — CID 82843843

IUPAC4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H15FN2O2S/c1-7(2)6-13-16(14,15)8-3-4-10(12)9(11)5-8/h3-5,7,13H,6,12H2,1-2H3
InChIKeyDLFHEEKFQOTQAC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.34
Rot. Bonds4

About 4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide

4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 82843843) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID82843843
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H15FN2O2S/c1-7(2)6-13-16(14,15)8-3-4-10(12)9(11)5-8/h3-5,7,13H,6,12H2,1-2H3
InChIKeyDLFHEEKFQOTQAC-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.34
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-methylpropyl)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-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
CID 82844762
3-amino-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66091028
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83177701
4-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528
4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 82843640
4-amino-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
CID 114099078
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903345

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide (CID 82843843) is 4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is DLFHEEKFQOTQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-7(2)6-13-16(14,15)8-3-4-10(12)9(11)5-8/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of 4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 1.34, 4 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-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 82843843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).