5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole

C21H16FNO2S — CID 57129889

IUPAC5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole
SMILESCS(=O)(=O)c1ccc(-c2cc3cc(F)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C21H16FNO2S/c1-26(24,25)19-10-7-15(8-11-19)21-14-16-13-17(22)9-12-20(16)23(21)18-5-3-2-4-6-18/h2-14H,1H3
InChIKeyPOWNEDMRWJDHCR-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.84
Rot. Bonds3

About 5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole

5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole (PubChem CID 57129889) has the molecular formula C21H16FNO2S and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole.

Molecular Properties

Compound Name5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole
PubChem CID57129889
Molecular FormulaC21H16FNO2S
Molecular Weight365.43 g/mol
Exact Mass365.09
IUPAC Name5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole
SMILESCS(=O)(=O)c1ccc(-c2cc3cc(F)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C21H16FNO2S/c1-26(24,25)19-10-7-15(8-11-19)21-14-16-13-17(22)9-12-20(16)23(21)18-5-3-2-4-6-18/h2-14H,1H3
InChIKeyPOWNEDMRWJDHCR-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 5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole?
The IUPAC name of 5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole (CID 57129889) is 5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole.
What is the SMILES notation for 5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole?
The canonical SMILES for 5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole is CS(=O)(=O)c1ccc(-c2cc3cc(F)ccc3n2-c2ccccc2)cc1.
What is the InChIKey of 5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole?
The InChIKey is POWNEDMRWJDHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2S/c1-26(24,25)19-10-7-15(8-11-19)21-14-16-13-17(22)9-12-20(16)23(21)18-5-3-2-4-6-18/h2-14H,1H3.
What are the key properties of 5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole?
5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole 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 5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole is sourced from PubChem (CID 57129889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).