N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide

C48H53F6N7O4S2 — CID 168956874

About N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide

N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 168956874) has the molecular formula C48H53F6N7O4S2 and a molecular weight of 970.12 g/mol. Its IUPAC name is N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide
• PubChem CID: 168956874
• Molecular Formula: C48H53F6N7O4S2
• Molecular Weight: 970.12 g/mol
• Exact Mass: 969.35
• IUPAC Name: N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide
• SMILES: CC(C)(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3c(C(F)(F)F)ccnc3C#N)cc21.CCC(C)(C)Cn1cc(CNS(=O)(=O)C2CC2)c2ccc(-c3ncccc3C(F)F)cc21
• InChI: InChI=1S/C24H24F4N4O2S.C24H29F2N3O2S/c1-23(2,3)13-32-12-14(11-31-35(33,34)15-4-5-15)16-8-19(25)17(9-21(16)32)22-18(24(26,27)28)6-7-30-20(22)10-29;1-4-24(2,3)15-29-14-17(13-28-32(30,31)18-8-9-18)19-10-7-16(12-21(19)29)22-20(23(25)26)6-5-11-27-22/h6-9,12,15,31H,4-5,11,13H2,1-3H3;5-7,10-12,14,18,23,28H,4,8-9,13,15H2,1-3H3
• InChIKey: IAYNNLQPBCUACJ-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 151.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.12
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide?

The IUPAC name of N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide (CID 168956874) is N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide?

The canonical SMILES for N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide is CC(C)(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3c(C(F)(F)F)ccnc3C#N)cc21.CCC(C)(C)Cn1cc(CNS(=O)(=O)C2CC2)c2ccc(-c3ncccc3C(F)F)cc21.

What is the InChIKey of N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide?

The InChIKey is IAYNNLQPBCUACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2S.C24H29F2N3O2S/c1-23(2,3)13-32-12-14(11-31-35(33,34)15-4-5-15)16-8-19(25)17(9-21(16)32)22-18(24(26,27)28)6-7-30-20(22)10-29;1-4-24(2,3)15-29-14-17(13-28-32(30,31)18-8-9-18)19-10-7-16(12-21(19)29)22-20(23(25)26)6-5-11-27-22/h6-9,12,15,31H,4-5,11,13H2,1-3H3;5-7,10-12,14,18,23,28H,4,8-9,13,15H2,1-3H3.

What are the key properties of N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide?

N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 970.12 g/mol, XLogP of 11.02, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 168956874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).