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

C10H15FN2O3S — CID 83177701

IUPAC4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
SMILESCC(CCO)NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H15FN2O3S/c1-7(4-5-14)13-17(15,16)8-2-3-10(12)9(11)6-8/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyXJSQAMLYNULFIL-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds5

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

4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide (PubChem CID 83177701) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
PubChem CID83177701
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
SMILESCC(CCO)NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H15FN2O3S/c1-7(4-5-14)13-17(15,16)8-2-3-10(12)9(11)6-8/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyXJSQAMLYNULFIL-UHFFFAOYSA-N
XLogP0.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)-4-methoxybenzenesulfonamide
CID 114626060
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
3-cyano-4-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 113318233
4-fluoro-N-(4-hydroxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 83187988
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82843638
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide (CID 83177701) is 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide is CC(CCO)NS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The InChIKey is XJSQAMLYNULFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-7(4-5-14)13-17(15,16)8-2-3-10(12)9(11)6-8/h2-3,6-7,13-14H,4-5,12H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 83177701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).