3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

C12H19FN2O3S — CID 61239729

IUPAC3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H19FN2O3S/c1-8(2)5-9(7-16)15-19(17,18)10-3-4-11(13)12(14)6-10/h3-4,6,8-9,15-16H,5,7,14H2,1-2H3
InChIKeyAYKVAYXVJLWVJL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.09
Rot. Bonds6

About 3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 61239729) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
PubChem CID61239729
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H19FN2O3S/c1-8(2)5-9(7-16)15-19(17,18)10-3-4-11(13)12(14)6-10/h3-4,6,8-9,15-16H,5,7,14H2,1-2H3
InChIKeyAYKVAYXVJLWVJL-UHFFFAOYSA-N
XLogP1.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-fluoro-N-(1-hydroxy-4-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (CID 61239729) is 3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is CC(C)CC(CO)NS(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is AYKVAYXVJLWVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-8(2)5-9(7-16)15-19(17,18)10-3-4-11(13)12(14)6-10/h3-4,6,8-9,15-16H,5,7,14H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61239729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).