2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol

C12H15F2NO3S — CID 115744856

IUPAC2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(CCO)C1
InChIInChI=1S/C12H15F2NO3S/c13-10-1-2-12(11(14)7-10)19(17,18)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8H2
InChIKeyYMWFRPSGBWETGL-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.36
Rot. Bonds4

About 2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol

2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 115744856) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID115744856
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(CCO)C1
InChIInChI=1S/C12H15F2NO3S/c13-10-1-2-12(11(14)7-10)19(17,18)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8H2
InChIKeyYMWFRPSGBWETGL-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

3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 121197755
2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796780
2-[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796776
2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744958
N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879108
3-(2,4-difluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314201
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propylpyrrolidine
CID 112695935
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
CID 142458057

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 115744856) is 2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol is O=S(=O)(c1ccc(F)cc1F)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is YMWFRPSGBWETGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-10-1-2-12(11(14)7-10)19(17,18)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8H2.
What are the key properties of 2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
2-[1-(2,4-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-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115744856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).