1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol

C10H12F2N2O3S — CID 65020834

IUPAC1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cc(F)c(F)c(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C10H12F2N2O3S/c11-8-3-6(13)4-9(10(8)12)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2
InChIKeyPWQXPPVEMXNPDS-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.30
Rot. Bonds2

About 1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol

1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 65020834) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID65020834
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cc(F)c(F)c(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C10H12F2N2O3S/c11-8-3-6(13)4-9(10(8)12)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2
InChIKeyPWQXPPVEMXNPDS-UHFFFAOYSA-N
XLogP0.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.30
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)sulfonylpyrrolidin-3-ol
CID 79896400
3,4-difluoro-5-(3-methylpyrrolidin-1-yl)sulfonylaniline
CID 65020777
3,4-difluoro-5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215050
2-[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796776
1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103051379
1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol
CID 79897067
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 94895309
(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895330
3,4-difluoro-5-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 105112071
3-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-4,5-difluoroaniline
CID 65022076

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol (CID 65020834) is 1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol is Nc1cc(F)c(F)c(S(=O)(=O)N2CCC(O)C2)c1.
What is the InChIKey of 1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is PWQXPPVEMXNPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c11-8-3-6(13)4-9(10(8)12)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2.
What are the key properties of 1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol?
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 278.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 65020834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).