N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide

C26H31F3N2O2S — CID 170346831

About N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide

N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 170346831) has the molecular formula C26H31F3N2O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
• PubChem CID: 170346831
• Molecular Formula: C26H31F3N2O2S
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.21
• IUPAC Name: N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
• SMILES: Cc1cc2c([C@@H](C)NS(=O)(=O)C3CC3)cn(CC(C)(C)C)c2cc1-c1ccccc1C(F)(F)F
• InChI: InChI=1S/C26H31F3N2O2S/c1-16-12-21-22(17(2)30-34(32,33)18-10-11-18)14-31(15-25(3,4)5)24(21)13-20(16)19-8-6-7-9-23(19)26(27,28)29/h6-9,12-14,17-18,30H,10-11,15H2,1-5H3/t17-/m1/s1
• InChIKey: OEHRGENEXVEABM-QGZVFWFLSA-N
• XLogP: 6.82
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?

The IUPAC name of N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide (CID 170346831) is N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?

The canonical SMILES for N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide is Cc1cc2c([C@@H](C)NS(=O)(=O)C3CC3)cn(CC(C)(C)C)c2cc1-c1ccccc1C(F)(F)F.

What is the InChIKey of N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?

The InChIKey is OEHRGENEXVEABM-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H31F3N2O2S/c1-16-12-21-22(17(2)30-34(32,33)18-10-11-18)14-31(15-25(3,4)5)24(21)13-20(16)19-8-6-7-9-23(19)26(27,28)29/h6-9,12-14,17-18,30H,10-11,15H2,1-5H3/t17-/m1/s1.

What are the key properties of N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?

N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 492.61 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 170346831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).