2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole

C11H8F3NO2S — CID 10084769

IUPAC2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole
SMILESO=S(=O)(c1cc[nH]c1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H8F3NO2S/c12-11(13,14)18(16,17)9-6-7-15-10(9)8-4-2-1-3-5-8/h1-7,15H
InChIKeyURRDXIPRJYAGBP-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.98
Rot. Bonds2

About 2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole

2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole (PubChem CID 10084769) has the molecular formula C11H8F3NO2S and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole.

Molecular Properties

Compound Name2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole
PubChem CID10084769
Molecular FormulaC11H8F3NO2S
Molecular Weight275.25 g/mol
Exact Mass275.02
IUPAC Name2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole
SMILESO=S(=O)(c1cc[nH]c1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H8F3NO2S/c12-11(13,14)18(16,17)9-6-7-15-10(9)8-4-2-1-3-5-8/h1-7,15H
InChIKeyURRDXIPRJYAGBP-UHFFFAOYSA-N
XLogP2.98
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 9930407
2-(4-methylsulfonylphenyl)-3-(4-fluorophenyl)-1H-pyrrole
CID 10313600
N-methyl-1-[5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66924757
1H-Indole, 3-(ethenylthio)-
CID 51080
1H-indole-3-sulfonic acid
CID 12904055
3-[(3-fluorophenyl)methylsulfonyl]-1H-indole
CID 2157546
4-(2-((1H-pyrrol-2-yl)methyleneamino)ethyl)benzenesulfonamide
CID 136118030
3-(4-Fluorobenzylsulfonyl)indole
CID 751484
3-Benzenesulfonylmethyl-1H-indole
CID 266338
US10308605, Example 165
CID 11559584
US10308605, Example 225
CID 66924887
6-methanesulfonyl-1H-indole
CID 2761067

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole?
The IUPAC name of 2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole (CID 10084769) is 2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole.
What is the SMILES notation for 2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole?
The canonical SMILES for 2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole is O=S(=O)(c1cc[nH]c1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole?
The InChIKey is URRDXIPRJYAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S/c12-11(13,14)18(16,17)9-6-7-15-10(9)8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of 2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole?
2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole has a molecular weight of 275.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(trifluoromethylsulfonyl)-1H-pyrrole is sourced from PubChem (CID 10084769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).