1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole

C16H13F4NO2S — CID 86887975

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC2
InChIInChI=1S/C16H13F4NO2S/c1-10-2-3-11-6-7-21(14(11)8-10)24(22,23)15-5-4-12(17)9-13(15)16(18,19)20/h2-5,8-9H,6-7H2,1H3
InChIKeyCGJYJUZKTAMZQG-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.90
Rot. Bonds2

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole

1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole (PubChem CID 86887975) has the molecular formula C16H13F4NO2S and a molecular weight of 359.34 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole
PubChem CID86887975
Molecular FormulaC16H13F4NO2S
Molecular Weight359.34 g/mol
Exact Mass359.06
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC2
InChIInChI=1S/C16H13F4NO2S/c1-10-2-3-11-6-7-21(14(11)8-10)24(22,23)15-5-4-12(17)9-13(15)16(18,19)20/h2-5,8-9H,6-7H2,1H3
InChIKeyCGJYJUZKTAMZQG-UHFFFAOYSA-N
XLogP3.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole (CID 86887975) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole is Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC2.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole?
The InChIKey is CGJYJUZKTAMZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2S/c1-10-2-3-11-6-7-21(14(11)8-10)24(22,23)15-5-4-12(17)9-13(15)16(18,19)20/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole?
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole has a molecular weight of 359.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole is sourced from PubChem (CID 86887975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).