1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol

C11H14FNO3S — CID 155823226

IUPAC1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1cc(S(=O)(=O)N2CCC(O)C2)ccc1F
InChIInChI=1S/C11H14FNO3S/c1-8-6-10(2-3-11(8)12)17(15,16)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyUZSJBBAMTSMZCX-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.89
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol

1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 155823226) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID155823226
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1cc(S(=O)(=O)N2CCC(O)C2)ccc1F
InChIInChI=1S/C11H14FNO3S/c1-8-6-10(2-3-11(8)12)17(15,16)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyUZSJBBAMTSMZCX-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
CID 63288683
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 82854595
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
CID 52985823
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol (CID 155823226) is 1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1cc(S(=O)(=O)N2CCC(O)C2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is UZSJBBAMTSMZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-8-6-10(2-3-11(8)12)17(15,16)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol?
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 259.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 155823226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).