[4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol

C19H18FNO3S — CID 70204843

IUPAC[4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol
SMILESCc1[nH]c(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H18FNO3S/c1-12-17(11-22)18(13-3-7-15(20)8-4-13)19(21-12)14-5-9-16(10-6-14)25(2,23)24/h3-10,21-22H,11H2,1-2H3
InChIKeyAWBGLMAOYLJDEA-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.69
Rot. Bonds4

About [4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol

[4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol (PubChem CID 70204843) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol
PubChem CID70204843
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name[4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol
SMILESCc1[nH]c(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H18FNO3S/c1-12-17(11-22)18(13-3-7-15(20)8-4-13)19(21-12)14-5-9-16(10-6-14)25(2,23)24/h3-10,21-22H,11H2,1-2H3
InChIKeyAWBGLMAOYLJDEA-UHFFFAOYSA-N
XLogP3.69
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-5-iodo-2-(4-methylsulfonylphenyl)-1H-pyrrole
CID 11743998
5-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole
CID 10363199
3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 70246798
1-[3,3-difluoro-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-fluorobenzene
CID 23370580
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole
CID 67695801
3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one
CID 139782249
1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol
CID 91155758
2-(4-fluorophenyl)-5-methylsulfonylaniline
CID 175686631
2-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19355827
4-(4-fluorophenyl)-2,5-bis(4-methylsulfonylphenyl)pyridazin-3-one
CID 10185280
2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole
CID 18463533
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 10180820

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol (CID 70204843) is [4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol is Cc1[nH]c(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol?
The InChIKey is AWBGLMAOYLJDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-12-17(11-22)18(13-3-7-15(20)8-4-13)19(21-12)14-5-9-16(10-6-14)25(2,23)24/h3-10,21-22H,11H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol?
[4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol has a molecular weight of 359.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 70204843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).