1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol

C12H12F2N4O3S — CID 167977300

IUPAC1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C12H12F2N4O3S/c13-8-2-1-3-9(14)11(8)22(20,21)18-5-4-12(19,7-18)10-6-15-17-16-10/h1-3,6,19H,4-5,7H2,(H,15,16,17)
InChIKeyKKXJVVJVDXWKPQ-UHFFFAOYSA-N
MW330.32 g/mol
LogP0.37
Rot. Bonds3

About 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol

1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol (PubChem CID 167977300) has the molecular formula C12H12F2N4O3S and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
PubChem CID167977300
Molecular FormulaC12H12F2N4O3S
Molecular Weight330.32 g/mol
Exact Mass330.06
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C12H12F2N4O3S/c13-8-2-1-3-9(14)11(8)22(20,21)18-5-4-12(19,7-18)10-6-15-17-16-10/h1-3,6,19H,4-5,7H2,(H,15,16,17)
InChIKeyKKXJVVJVDXWKPQ-UHFFFAOYSA-N
XLogP0.37
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 129486685
1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol
CID 167810469
(3S)-1-(8-fluoro-2-methylquinolin-4-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482606
1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol
CID 154756639
1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol
CID 128975128
3-(2,4-difluorophenyl)-1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 167926533
(E)-3-(4-fluorophenyl)-1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]but-2-en-1-one
CID 167837787
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129484764
1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
CID 75508944
[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylphenyl)cyclobutyl]methanone
CID 167986110
(3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482636
(3S)-3-(2H-triazol-4-yl)-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129486305

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol (CID 167977300) is 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol is O=S(=O)(c1c(F)cccc1F)N1CCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The InChIKey is KKXJVVJVDXWKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O3S/c13-8-2-1-3-9(14)11(8)22(20,21)18-5-4-12(19,7-18)10-6-15-17-16-10/h1-3,6,19H,4-5,7H2,(H,15,16,17).
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol has a molecular weight of 330.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 167977300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).