1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol

C10H11F2NO3S — CID 62917651

IUPAC1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(O)C1
InChIInChI=1S/C10H11F2NO3S/c11-8-2-1-3-9(12)10(8)17(15,16)13-5-4-7(14)6-13/h1-3,7,14H,4-6H2
InChIKeyUQRKCLZOWLMABI-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.72
Rot. Bonds2

About 1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol

1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62917651) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID62917651
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(O)C1
InChIInChI=1S/C10H11F2NO3S/c11-8-2-1-3-9(12)10(8)17(15,16)13-5-4-7(14)6-13/h1-3,7,14H,4-6H2
InChIKeyUQRKCLZOWLMABI-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895335
(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415192
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744958
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212018
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol (CID 62917651) is 1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1c(F)cccc1F)N1CCC(O)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is UQRKCLZOWLMABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c11-8-2-1-3-9(12)10(8)17(15,16)13-5-4-7(14)6-13/h1-3,7,14H,4-6H2.
What are the key properties of 1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol?
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 263.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62917651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).