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

C11H15FN2O3S — CID 79896400

IUPAC1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1c(F)cc(N)cc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H15FN2O3S/c1-7-10(12)4-8(13)5-11(7)18(16,17)14-3-2-9(15)6-14/h4-5,9,15H,2-3,6,13H2,1H3
InChIKeyMVCMWLACEUXOGY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.47
Rot. Bonds2

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

1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 79896400) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID79896400
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1c(F)cc(N)cc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H15FN2O3S/c1-7-10(12)4-8(13)5-11(7)18(16,17)14-3-2-9(15)6-14/h4-5,9,15H,2-3,6,13H2,1H3
InChIKeyMVCMWLACEUXOGY-UHFFFAOYSA-N
XLogP0.47
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol
CID 79897067
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 65020834
3-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylaniline
CID 103530274
3-(4-ethylpiperidin-1-yl)sulfonyl-5-fluoro-4-methylaniline
CID 79896386
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212055
3,4-difluoro-5-(3-methylpyrrolidin-1-yl)sulfonylaniline
CID 65020777
(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 94895309
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895330
(3S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031393
1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103051379

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol (CID 79896400) is 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1c(F)cc(N)cc1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is MVCMWLACEUXOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-7-10(12)4-8(13)5-11(7)18(16,17)14-3-2-9(15)6-14/h4-5,9,15H,2-3,6,13H2,1H3.
What are the key properties of 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 274.32 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 79896400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).