5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

C16H16FNO2S — CID 86231559

IUPAC5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC2C)cc1
InChIInChI=1S/C16H16FNO2S/c1-11-3-6-15(7-4-11)21(19,20)18-12(2)9-13-10-14(17)5-8-16(13)18/h3-8,10,12H,9H2,1-2H3
InChIKeyHORFXZUZYZRVJJ-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.27
Rot. Bonds2

About 5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 86231559) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID86231559
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC2C)cc1
InChIInChI=1S/C16H16FNO2S/c1-11-3-6-15(7-4-11)21(19,20)18-12(2)9-13-10-14(17)5-8-16(13)18/h3-8,10,12H,9H2,1-2H3
InChIKeyHORFXZUZYZRVJJ-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (CID 86231559) is 5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC2C)cc1.
What is the InChIKey of 5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is HORFXZUZYZRVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-11-3-6-15(7-4-11)21(19,20)18-12(2)9-13-10-14(17)5-8-16(13)18/h3-8,10,12H,9H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 305.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 86231559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).