(4-fluoro-3-methylphenyl)sulfonylmethanol

C8H9FO3S — CID 117036683

IUPAC(4-fluoro-3-methylphenyl)sulfonylmethanol
SMILESCc1cc(S(=O)(=O)CO)ccc1F
InChIInChI=1S/C8H9FO3S/c1-6-4-7(2-3-8(6)9)13(11,12)5-10/h2-4,10H,5H2,1H3
InChIKeyWCVJUBXCLGNKTO-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.86
Rot. Bonds2

About (4-fluoro-3-methylphenyl)sulfonylmethanol

(4-fluoro-3-methylphenyl)sulfonylmethanol (PubChem CID 117036683) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)sulfonylmethanol.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)sulfonylmethanol
PubChem CID117036683
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name(4-fluoro-3-methylphenyl)sulfonylmethanol
SMILESCc1cc(S(=O)(=O)CO)ccc1F
InChIInChI=1S/C8H9FO3S/c1-6-4-7(2-3-8(6)9)13(11,12)5-10/h2-4,10H,5H2,1H3
InChIKeyWCVJUBXCLGNKTO-UHFFFAOYSA-N
XLogP0.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane
CID 135226970
N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine
CID 117036346
2-(3,4-difluorophenyl)sulfonylethanol
CID 111104635
4-fluoro-3-methyl-N-(oxomethylidene)benzenesulfonamide
CID 82078542
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
(4-iodophenyl)sulfonylmethanol
CID 58552975
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
CID 159440456
4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 2147929
2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol
CID 70299812
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)sulfonylmethanol?
The IUPAC name of (4-fluoro-3-methylphenyl)sulfonylmethanol (CID 117036683) is (4-fluoro-3-methylphenyl)sulfonylmethanol.
What is the SMILES notation for (4-fluoro-3-methylphenyl)sulfonylmethanol?
The canonical SMILES for (4-fluoro-3-methylphenyl)sulfonylmethanol is Cc1cc(S(=O)(=O)CO)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)sulfonylmethanol?
The InChIKey is WCVJUBXCLGNKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-6-4-7(2-3-8(6)9)13(11,12)5-10/h2-4,10H,5H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)sulfonylmethanol?
(4-fluoro-3-methylphenyl)sulfonylmethanol has a molecular weight of 204.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)sulfonylmethanol is sourced from PubChem (CID 117036683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).