1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol

C10H14FNO3S — CID 82023677

IUPAC1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol
SMILESCc1cc(S(=O)(=O)CC(O)CN)ccc1F
InChIInChI=1S/C10H14FNO3S/c1-7-4-9(2-3-10(7)11)16(14,15)6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3
InChIKeyBLBAOHKBVIMHQR-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.23
Rot. Bonds4

About 1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol

1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol (PubChem CID 82023677) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol
PubChem CID82023677
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol
SMILESCc1cc(S(=O)(=O)CC(O)CN)ccc1F
InChIInChI=1S/C10H14FNO3S/c1-7-4-9(2-3-10(7)11)16(14,15)6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3
InChIKeyBLBAOHKBVIMHQR-UHFFFAOYSA-N
XLogP0.23
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-((2-Hydroxyethyl)thio)propyl)-4-methylbenzenesulfonamide
CID 373727
N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide
CID 71688879
N-(3-hydroxypropyl)-3-(methylsulfanylmethyl)benzenesulfonamide
CID 71688888
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-3-methylbenzenesulfonamide
CID 71787208
(Z)-3-fluoro-4-(m-tolylsulfonyl)but-2-en-1-amine
CID 146317752
1-Amino-3-(benzenesulfonyl)propan-2-ol
CID 79022065
4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 24319583
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71787222
N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide
CID 83029898
(S)-1-(4-fluoro-3-tolylsulfonylamino)-2-methyl-4-(methylthio)-2-butanol
CID 95984427
2-Amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol
CID 18966063
(2R)-1-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-2-ol
CID 54312431

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol (CID 82023677) is 1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol is Cc1cc(S(=O)(=O)CC(O)CN)ccc1F.
What is the InChIKey of 1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol?
The InChIKey is BLBAOHKBVIMHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-7-4-9(2-3-10(7)11)16(14,15)6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3.
What are the key properties of 1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol?
1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol has a molecular weight of 247.29 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-fluoro-3-methylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 82023677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).