1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol

C23H17F2NO3S — CID 91155758

IUPAC1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol
SMILESCS(=O)(=O)c1ccc(-c2cn(-c3ccccc3F)c(O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17F2NO3S/c1-30(28,29)18-12-8-15(9-13-18)19-14-26(21-5-3-2-4-20(21)25)23(27)22(19)16-6-10-17(24)11-7-16/h2-14,27H,1H3
InChIKeyRVLIALVOJSJFOI-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.20
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol

1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol (PubChem CID 91155758) has the molecular formula C23H17F2NO3S and a molecular weight of 425.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol
PubChem CID91155758
Molecular FormulaC23H17F2NO3S
Molecular Weight425.46 g/mol
Exact Mass425.09
IUPAC Name1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol
SMILESCS(=O)(=O)c1ccc(-c2cn(-c3ccccc3F)c(O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17F2NO3S/c1-30(28,29)18-12-8-15(9-13-18)19-14-26(21-5-3-2-4-20(21)25)23(27)22(19)16-6-10-17(24)11-7-16/h2-14,27H,1H3
InChIKeyRVLIALVOJSJFOI-UHFFFAOYSA-N
XLogP5.20
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol (CID 91155758) is 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol is CS(=O)(=O)c1ccc(-c2cn(-c3ccccc3F)c(O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol?
The InChIKey is RVLIALVOJSJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO3S/c1-30(28,29)18-12-8-15(9-13-18)19-14-26(21-5-3-2-4-20(21)25)23(27)22(19)16-6-10-17(24)11-7-16/h2-14,27H,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol?
1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol has a molecular weight of 425.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol is sourced from PubChem (CID 91155758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).