2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole

C17H15NO2S — CID 57260118

IUPAC2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole
SMILESCS(=O)(=O)c1ccc(-c2[nH]ccc2-c2ccccc2)cc1
InChIInChI=1S/C17H15NO2S/c1-21(19,20)15-9-7-14(8-10-15)17-16(11-12-18-17)13-5-3-2-4-6-13/h2-12,18H,1H3
InChIKeyZAYQQFYRJDUQIV-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole

2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole (PubChem CID 57260118) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole
PubChem CID57260118
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole
SMILESCS(=O)(=O)c1ccc(-c2[nH]ccc2-c2ccccc2)cc1
InChIInChI=1S/C17H15NO2S/c1-21(19,20)15-9-7-14(8-10-15)17-16(11-12-18-17)13-5-3-2-4-6-13/h2-12,18H,1H3
InChIKeyZAYQQFYRJDUQIV-UHFFFAOYSA-N
XLogP3.75
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole (CID 57260118) is 2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole is CS(=O)(=O)c1ccc(-c2[nH]ccc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole?
The InChIKey is ZAYQQFYRJDUQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-21(19,20)15-9-7-14(8-10-15)17-16(11-12-18-17)13-5-3-2-4-6-13/h2-12,18H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole?
2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole has a molecular weight of 297.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole is sourced from PubChem (CID 57260118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).