3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol

C24H21NO4S — CID 90687245

IUPAC3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol
SMILESCOc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)cn(-c3ccccc3)c2O)cc1
InChIInChI=1S/C24H21NO4S/c1-29-20-12-8-18(9-13-20)23-22(17-10-14-21(15-11-17)30(2,27)28)16-25(24(23)26)19-6-4-3-5-7-19/h3-16,26H,1-2H3
InChIKeyGPNKNFYAYWFOCT-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.93
Rot. Bonds5

About 3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol

3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol (PubChem CID 90687245) has the molecular formula C24H21NO4S and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol
PubChem CID90687245
Molecular FormulaC24H21NO4S
Molecular Weight419.50 g/mol
Exact Mass419.12
IUPAC Name3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol
SMILESCOc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)cn(-c3ccccc3)c2O)cc1
InChIInChI=1S/C24H21NO4S/c1-29-20-12-8-18(9-13-20)23-22(17-10-14-21(15-11-17)30(2,27)28)16-25(24(23)26)19-6-4-3-5-7-19/h3-16,26H,1-2H3
InChIKeyGPNKNFYAYWFOCT-UHFFFAOYSA-N
XLogP4.93
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol
CID 91155758
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1-one
CID 144586778
1-(4-methoxyphenyl)-2-phenylindeno[1,2-c]pyrrol-4-one
CID 132598652
3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-4-phenylpyrazole
CID 19041418
3-(4-methoxyphenyl)-1,4-diphenylpyrrole
CID 102125603
1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
CID 45142068
1-methoxy-4-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]benzene
CID 23370545
1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone
CID 44718395
3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
CID 139782244
4-(4-methylsulfonylphenyl)-3-phenoxyphenol
CID 139699276
3-amino-4-(4-methoxyphenyl)-1-phenylpyridin-2-one
CID 141318946

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol?
The IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol (CID 90687245) is 3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol is COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)cn(-c3ccccc3)c2O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol?
The InChIKey is GPNKNFYAYWFOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4S/c1-29-20-12-8-18(9-13-20)23-22(17-10-14-21(15-11-17)30(2,27)28)16-25(24(23)26)19-6-4-3-5-7-19/h3-16,26H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol?
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol has a molecular weight of 419.50 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol is sourced from PubChem (CID 90687245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).