[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol

C13H18FNO3S — CID 107328232

IUPAC[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C13H18FNO3S/c1-9-6-11(14)7-10(2)13(9)19(17,18)15-5-3-4-12(15)8-16/h6-7,12,16H,3-5,8H2,1-2H3/t12-/m0/s1
InChIKeyULHGKEAPBJBAMM-LBPRGKRZSA-N
MW287.36 g/mol
LogP1.59
Rot. Bonds3

About [(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol

[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 107328232) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is [(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID107328232
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C13H18FNO3S/c1-9-6-11(14)7-10(2)13(9)19(17,18)15-5-3-4-12(15)8-16/h6-7,12,16H,3-5,8H2,1-2H3/t12-/m0/s1
InChIKeyULHGKEAPBJBAMM-LBPRGKRZSA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 107327086
1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 107328244
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 107327561
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533
[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 107326673
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 107328297
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylazepane
CID 107327191
1-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79539023
[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61410837
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
[(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 103943148

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 107328232) is [(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol is Cc1cc(F)cc(C)c1S(=O)(=O)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is ULHGKEAPBJBAMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-9-6-11(14)7-10(2)13(9)19(17,18)15-5-3-4-12(15)8-16/h6-7,12,16H,3-5,8H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 287.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 107328232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).