5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole

C17H14F3NO3S — CID 155532494

IUPAC5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole
SMILESCOc1ccc2c(c1)cc(S(=O)(=O)c1ccc(C(F)(F)F)cc1)n2C
InChIInChI=1S/C17H14F3NO3S/c1-21-15-8-5-13(24-2)9-11(15)10-16(21)25(22,23)14-6-3-12(4-7-14)17(18,19)20/h3-10H,1-2H3
InChIKeyZDAGLIBZCOIXLW-UHFFFAOYSA-N
MW369.36 g/mol
LogP4.04
Rot. Bonds3

About 5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole

5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole (PubChem CID 155532494) has the molecular formula C17H14F3NO3S and a molecular weight of 369.36 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole.

Molecular Properties

Compound Name5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole
PubChem CID155532494
Molecular FormulaC17H14F3NO3S
Molecular Weight369.36 g/mol
Exact Mass369.06
IUPAC Name5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole
SMILESCOc1ccc2c(c1)cc(S(=O)(=O)c1ccc(C(F)(F)F)cc1)n2C
InChIInChI=1S/C17H14F3NO3S/c1-21-15-8-5-13(24-2)9-11(15)10-16(21)25(22,23)14-6-3-12(4-7-14)17(18,19)20/h3-10H,1-2H3
InChIKeyZDAGLIBZCOIXLW-UHFFFAOYSA-N
XLogP4.04
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole?
The IUPAC name of 5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole (CID 155532494) is 5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole.
What is the SMILES notation for 5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole?
The canonical SMILES for 5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole is COc1ccc2c(c1)cc(S(=O)(=O)c1ccc(C(F)(F)F)cc1)n2C.
What is the InChIKey of 5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole?
The InChIKey is ZDAGLIBZCOIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3S/c1-21-15-8-5-13(24-2)9-11(15)10-16(21)25(22,23)14-6-3-12(4-7-14)17(18,19)20/h3-10H,1-2H3.
What are the key properties of 5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole?
5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole has a molecular weight of 369.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylindole is sourced from PubChem (CID 155532494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).