2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole

C21H17NO2S — CID 70342342

IUPAC2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H17NO2S/c1-25(23,24)17-12-10-15(11-13-17)18-7-3-4-8-19(18)21-14-16-6-2-5-9-20(16)22-21/h2-14,22H,1H3
InChIKeyVFYKOPOQIZNIFK-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.91
Rot. Bonds3

About 2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole

2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole (PubChem CID 70342342) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole.

Molecular Properties

Compound Name2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole
PubChem CID70342342
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H17NO2S/c1-25(23,24)17-12-10-15(11-13-17)18-7-3-4-8-19(18)21-14-16-6-2-5-9-20(16)22-21/h2-14,22H,1H3
InChIKeyVFYKOPOQIZNIFK-UHFFFAOYSA-N
XLogP4.91
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole?
The IUPAC name of 2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole (CID 70342342) is 2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole.
What is the SMILES notation for 2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole?
The canonical SMILES for 2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole is CS(=O)(=O)c1ccc(-c2ccccc2-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole?
The InChIKey is VFYKOPOQIZNIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-25(23,24)17-12-10-15(11-13-17)18-7-3-4-8-19(18)21-14-16-6-2-5-9-20(16)22-21/h2-14,22H,1H3.
What are the key properties of 2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole?
2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole has a molecular weight of 347.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole is sourced from PubChem (CID 70342342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).