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

C19H18FNO3S — CID 10546382

IUPAC[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol
SMILESCc1c(CO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3S/c1-13-15(12-22)11-19(21(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-11,22H,12H2,1-2H3
InChIKeyWCKUEFSDCROCDY-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.49
Rot. Bonds4

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

[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol (PubChem CID 10546382) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol
PubChem CID10546382
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol
SMILESCc1c(CO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3S/c1-13-15(12-22)11-19(21(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-11,22H,12H2,1-2H3
InChIKeyWCKUEFSDCROCDY-UHFFFAOYSA-N
XLogP3.49
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol (CID 10546382) is [1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol is Cc1c(CO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol?
The InChIKey is WCKUEFSDCROCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-13-15(12-22)11-19(21(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-11,22H,12H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol?
[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol has a molecular weight of 359.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 10546382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).