[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol

C12H16FNO3S — CID 61409059

IUPAC[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCCC2CO)cc1F
InChIInChI=1S/C12H16FNO3S/c1-9-4-5-11(7-12(9)13)18(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyIJKCWOSUWAYTNW-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.28
Rot. Bonds3

About [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 61409059) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID61409059
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCCC2CO)cc1F
InChIInChI=1S/C12H16FNO3S/c1-9-4-5-11(7-12(9)13)18(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyIJKCWOSUWAYTNW-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
2-fluoro-5-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 61408927
[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409282
[1-(3-fluoro-4-methoxyphenyl)sulfonylazepan-2-yl]methanol
CID 116636614
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79027858
[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
CID 63288078
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61371093
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 103943148

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 61409059) is [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2CCCC2CO)cc1F.
What is the InChIKey of [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is IJKCWOSUWAYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9-4-5-11(7-12(9)13)18(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 273.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 61409059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).