1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol

C9H12FNO3S — CID 107889509

IUPAC1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
SMILESCC(O)CS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C9H12FNO3S/c1-6(12)5-15(13,14)9-3-2-7(10)4-8(9)11/h2-4,6,12H,5,11H2,1H3
InChIKeyNABJBIRNKZHECK-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.56
Rot. Bonds3

About 1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol

1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol (PubChem CID 107889509) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
PubChem CID107889509
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
SMILESCC(O)CS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C9H12FNO3S/c1-6(12)5-15(13,14)9-3-2-7(10)4-8(9)11/h2-4,6,12H,5,11H2,1H3
InChIKeyNABJBIRNKZHECK-UHFFFAOYSA-N
XLogP0.56
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol
CID 107889485
1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol
CID 114250018
5-fluoro-2-(2-propan-2-yloxyethylsulfonyl)aniline
CID 81184691
5-fluoro-2-octylsulfonylaniline
CID 81185523
5-fluoro-2-methylsulfonylaniline
CID 22567345
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
CID 81186168
2-[(3,5-difluorophenyl)methylsulfonyl]-5-fluoroaniline
CID 105411581
(2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol
CID 124624181
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol (CID 107889509) is 1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol is CC(O)CS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol?
The InChIKey is NABJBIRNKZHECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-6(12)5-15(13,14)9-3-2-7(10)4-8(9)11/h2-4,6,12H,5,11H2,1H3.
What are the key properties of 1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol?
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol has a molecular weight of 233.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 107889509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).