1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole

C21H16FNO2S — CID 10970548

IUPAC1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole
SMILESCS(=O)(=O)c1ccc(-c2cc3ccccc3n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FNO2S/c1-26(24,25)19-12-6-15(7-13-19)21-14-16-4-2-3-5-20(16)23(21)18-10-8-17(22)9-11-18/h2-14H,1H3
InChIKeyNZXKFLBPXURZDS-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.84
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole

1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole (PubChem CID 10970548) has the molecular formula C21H16FNO2S and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole
PubChem CID10970548
Molecular FormulaC21H16FNO2S
Molecular Weight365.43 g/mol
Exact Mass365.09
IUPAC Name1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole
SMILESCS(=O)(=O)c1ccc(-c2cc3ccccc3n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FNO2S/c1-26(24,25)19-12-6-15(7-13-19)21-14-16-4-2-3-5-20(16)23(21)18-10-8-17(22)9-11-18/h2-14H,1H3
InChIKeyNZXKFLBPXURZDS-UHFFFAOYSA-N
XLogP4.84
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole (CID 10970548) is 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole is CS(=O)(=O)c1ccc(-c2cc3ccccc3n2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole?
The InChIKey is NZXKFLBPXURZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2S/c1-26(24,25)19-12-6-15(7-13-19)21-14-16-4-2-3-5-20(16)23(21)18-10-8-17(22)9-11-18/h2-14H,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole?
1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole has a molecular weight of 365.43 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)indole is sourced from PubChem (CID 10970548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).