[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol

C12H16FNO3S — CID 62371177

IUPAC[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C12H16FNO3S/c1-9-2-3-11(13)6-12(9)18(16,17)14-5-4-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyVQJPEVYNRUAIPQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.14
Rot. Bonds3

About [1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol

[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol (PubChem CID 62371177) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is [1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
PubChem CID62371177
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C12H16FNO3S/c1-9-2-3-11(13)6-12(9)18(16,17)14-5-4-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyVQJPEVYNRUAIPQ-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
1-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977686
3-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 63397617
methyl 4-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 103916501
(3S,4S)-4-(dimethylamino)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 131919037
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978245
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004
[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol (CID 62371177) is [1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol is Cc1ccc(F)cc1S(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of [1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
The InChIKey is VQJPEVYNRUAIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9-2-3-11(13)6-12(9)18(16,17)14-5-4-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8H2,1H3.
What are the key properties of [1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol has a molecular weight of 273.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 62371177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).