2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole

C22H18FNO3S — CID 15908401

IUPAC2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole
SMILESCc1ccc(-c2ccc(S(C)(=O)=O)c(F)c2)n1-c1ccc(-c2ccco2)cc1
InChIInChI=1S/C22H18FNO3S/c1-15-5-11-20(17-8-12-22(19(23)14-17)28(2,25)26)24(15)18-9-6-16(7-10-18)21-4-3-13-27-21/h3-14H,1-2H3
InChIKeyZUGSRJSQGXWDHY-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.26
Rot. Bonds4

About 2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole

2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole (PubChem CID 15908401) has the molecular formula C22H18FNO3S and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole.

Molecular Properties

Compound Name2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole
PubChem CID15908401
Molecular FormulaC22H18FNO3S
Molecular Weight395.46 g/mol
Exact Mass395.10
IUPAC Name2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole
SMILESCc1ccc(-c2ccc(S(C)(=O)=O)c(F)c2)n1-c1ccc(-c2ccco2)cc1
InChIInChI=1S/C22H18FNO3S/c1-15-5-11-20(17-8-12-22(19(23)14-17)28(2,25)26)24(15)18-9-6-16(7-10-18)21-4-3-13-27-21/h3-14H,1-2H3
InChIKeyZUGSRJSQGXWDHY-UHFFFAOYSA-N
XLogP5.26
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 22316879
4-[4-[2-(3-fluoro-4-methylsulfonylphenyl)-5-methylpyrrol-1-yl]-2-methylphenyl]-1,3-thiazole
CID 22316693
2-methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole
CID 10663833
2-methyl-1-(4-methylsulfonylphenyl)-5-phenylpyrrole
CID 23635012
[5-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylphenyl]methanamine;hydrochloride
CID 22316908
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
CID 15908407
5-[4-(furan-2-yl)-2-methylphenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 22316649
2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan
CID 168528675
3-[2-(furan-2-yl)-5-methylpyrrol-1-yl]-2-methylaniline
CID 91673115
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2-[4-(3,5-difluorophenyl)phenyl]furan
CID 168525624

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole?
The IUPAC name of 2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole (CID 15908401) is 2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole.
What is the SMILES notation for 2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole?
The canonical SMILES for 2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole is Cc1ccc(-c2ccc(S(C)(=O)=O)c(F)c2)n1-c1ccc(-c2ccco2)cc1.
What is the InChIKey of 2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole?
The InChIKey is ZUGSRJSQGXWDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3S/c1-15-5-11-20(17-8-12-22(19(23)14-17)28(2,25)26)24(15)18-9-6-16(7-10-18)21-4-3-13-27-21/h3-14H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole?
2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole has a molecular weight of 395.46 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole is sourced from PubChem (CID 15908401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).