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

C16H14F3NO2S — CID 60534914

IUPAC3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
SMILESCC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C16H14F3NO2S/c1-11-10-20(15-5-3-2-4-14(11)15)23(21,22)13-8-6-12(7-9-13)16(17,18)19/h2-9,11H,10H2,1H3
InChIKeyDHYYWHRLHDXQDO-UHFFFAOYSA-N
MW341.35 g/mol
LogP4.02
Rot. Bonds2

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

3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole (PubChem CID 60534914) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
PubChem CID60534914
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
SMILESCC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C16H14F3NO2S/c1-11-10-20(15-5-3-2-4-14(11)15)23(21,22)13-8-6-12(7-9-13)16(17,18)19/h2-9,11H,10H2,1H3
InChIKeyDHYYWHRLHDXQDO-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole (CID 60534914) is 3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole is CC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
The InChIKey is DHYYWHRLHDXQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c1-11-10-20(15-5-3-2-4-14(11)15)23(21,22)13-8-6-12(7-9-13)16(17,18)19/h2-9,11H,10H2,1H3.
What are the key properties of 3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole has a molecular weight of 341.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 60534914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).