3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide

C35H25F3N2O3S — CID 70008860

IUPAC3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1C1C(Cc2ccc3ccccc3c2)=Cc2ccccc21
InChIInChI=1S/C35H25F3N2O3S/c36-35(37,38)26-11-13-27(14-12-26)40-44(42,43)28-15-16-31-30(20-28)33(34(41)39-31)32-25(19-24-7-3-4-8-29(24)32)18-21-9-10-22-5-1-2-6-23(22)17-21/h1-17,19-20,32-33,40H,18H2,(H,39,41)
InChIKeyYHIKHFKOURBKLZ-UHFFFAOYSA-N
MW610.66 g/mol
LogP8.12
Rot. Bonds6

About 3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide

3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 70008860) has the molecular formula C35H25F3N2O3S and a molecular weight of 610.66 g/mol. Its IUPAC name is 3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide
PubChem CID70008860
Molecular FormulaC35H25F3N2O3S
Molecular Weight610.66 g/mol
Exact Mass610.15
IUPAC Name3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1C1C(Cc2ccc3ccccc3c2)=Cc2ccccc21
InChIInChI=1S/C35H25F3N2O3S/c36-35(37,38)26-11-13-27(14-12-26)40-44(42,43)28-15-16-31-30(20-28)33(34(41)39-31)32-25(19-24-7-3-4-8-29(24)32)18-21-9-10-22-5-1-2-6-23(22)17-21/h1-17,19-20,32-33,40H,18H2,(H,39,41)
InChIKeyYHIKHFKOURBKLZ-UHFFFAOYSA-N
XLogP8.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.66
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide (CID 70008860) is 3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1C1C(Cc2ccc3ccccc3c2)=Cc2ccccc21.
What is the InChIKey of 3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is YHIKHFKOURBKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F3N2O3S/c36-35(37,38)26-11-13-27(14-12-26)40-44(42,43)28-15-16-31-30(20-28)33(34(41)39-31)32-25(19-24-7-3-4-8-29(24)32)18-21-9-10-22-5-1-2-6-23(22)17-21/h1-17,19-20,32-33,40H,18H2,(H,39,41).
What are the key properties of 3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?
3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 610.66 g/mol, XLogP of 8.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 70008860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).