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

C35H25F3N2O4S — CID 69434982

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

3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 69434982) has the molecular formula C35H25F3N2O4S and a molecular weight of 626.66 g/mol. Its IUPAC name is 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

• Compound Name: 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide
• PubChem CID: 69434982
• Molecular Formula: C35H25F3N2O4S
• Molecular Weight: 626.66 g/mol
• Exact Mass: 626.15
• IUPAC Name: 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide
• SMILES: CC1=C(c2ccc3ccccc3c2O)c2ccccc2C1C1C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc21
• InChI: InChI=1S/C35H25F3N2O4S/c1-19-30(27-16-10-20-6-2-3-7-24(20)33(27)41)25-8-4-5-9-26(25)31(19)32-28-18-23(15-17-29(28)39-34(32)42)45(43,44)40-22-13-11-21(12-14-22)35(36,37)38/h2-18,31-32,40-41H,1H3,(H,39,42)
• InChIKey: UXYJELRVQNYZDH-UHFFFAOYSA-N
• XLogP: 8.02
• TPSA: 95.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.66
LogP ≤ 5	8.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?

The IUPAC name of 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide (CID 69434982) is 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide.

What is the SMILES notation for 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?

The canonical SMILES for 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide is CC1=C(c2ccc3ccccc3c2O)c2ccccc2C1C1C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc21.

What is the InChIKey of 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?

The InChIKey is UXYJELRVQNYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F3N2O4S/c1-19-30(27-16-10-20-6-2-3-7-24(20)33(27)41)25-8-4-5-9-26(25)31(19)32-28-18-23(15-17-29(28)39-34(32)42)45(43,44)40-22-13-11-21(12-14-22)35(36,37)38/h2-18,31-32,40-41H,1H3,(H,39,42).

What are the key properties of 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?

3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 626.66 g/mol, XLogP of 8.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 69434982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).