2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol

C12H15F2NO3S — CID 115744958

IUPAC2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(CCO)C1
InChIInChI=1S/C12H15F2NO3S/c13-10-2-1-3-11(14)12(10)19(17,18)15-6-4-9(8-15)5-7-16/h1-3,9,16H,4-8H2
InChIKeyLEAVXVDBZMIUOR-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.36
Rot. Bonds4

About 2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol

2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 115744958) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID115744958
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(CCO)C1
InChIInChI=1S/C12H15F2NO3S/c13-10-2-1-3-11(14)12(10)19(17,18)15-6-4-9(8-15)5-7-16/h1-3,9,16H,4-8H2
InChIKeyLEAVXVDBZMIUOR-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744856
[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708491
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 115745003
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
2-[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796776
2-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114799320
3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733
(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895335

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 115744958) is 2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol is O=S(=O)(c1c(F)cccc1F)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is LEAVXVDBZMIUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-10-2-1-3-11(14)12(10)19(17,18)15-6-4-9(8-15)5-7-16/h1-3,9,16H,4-8H2.
What are the key properties of 2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 291.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115744958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).