1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol

C11H13F2NO3S — CID 91604099

IUPAC1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H13F2NO3S/c1-7-4-9(12)10(13)5-11(7)18(16,17)14-3-2-8(15)6-14/h4-5,8,15H,2-3,6H2,1H3
InChIKeyUXDKGKNLBWPNKW-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.03
Rot. Bonds2

About 1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol

1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 91604099) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID91604099
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H13F2NO3S/c1-7-4-9(12)10(13)5-11(7)18(16,17)14-3-2-8(15)6-14/h4-5,8,15H,2-3,6H2,1H3
InChIKeyUXDKGKNLBWPNKW-UHFFFAOYSA-N
XLogP1.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212055
1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79896400
2-hydroxy-5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methylbenzoic acid
CID 62943562
2-hydroxy-5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-4-methylbenzoic acid
CID 107215006
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
(3S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031393
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol (CID 91604099) is 1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is UXDKGKNLBWPNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c1-7-4-9(12)10(13)5-11(7)18(16,17)14-3-2-8(15)6-14/h4-5,8,15H,2-3,6H2,1H3.
What are the key properties of 1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 277.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 91604099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).