1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol

C11H14FNO3S — CID 55130963

IUPAC1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H14FNO3S/c1-8-2-3-9(12)6-11(8)17(15,16)13-5-4-10(14)7-13/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyDDKGVEPZWZJFJC-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.89
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol

1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 55130963) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID55130963
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H14FNO3S/c1-8-2-3-9(12)6-11(8)17(15,16)13-5-4-10(14)7-13/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyDDKGVEPZWZJFJC-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-(dimethylamino)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 131919037
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895330
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol (CID 55130963) is 1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1ccc(F)cc1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is DDKGVEPZWZJFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-8-2-3-9(12)6-11(8)17(15,16)13-5-4-10(14)7-13/h2-3,6,10,14H,4-5,7H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 259.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 55130963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).