N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide

C24H27F5N4O2S — CID 175920959

About N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide

N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide (PubChem CID 175920959) has the molecular formula C24H27F5N4O2S and a molecular weight of 530.56 g/mol. Its IUPAC name is N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
• PubChem CID: 175920959
• Molecular Formula: C24H27F5N4O2S
• Molecular Weight: 530.56 g/mol
• Exact Mass: 530.18
• IUPAC Name: N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
• SMILES: Cc1ncnc(C(F)F)c1-c1cc2c(cc1F)c([C@H](NS(=O)(=O)C1CC1)C(F)F)cn2CC(C)(C)C
• InChI: InChI=1S/C24H27F5N4O2S/c1-12-19(21(23(28)29)31-11-30-12)15-8-18-14(7-17(15)25)16(9-33(18)10-24(2,3)4)20(22(26)27)32-36(34,35)13-5-6-13/h7-9,11,13,20,22-23,32H,5-6,10H2,1-4H3/t20-/m0/s1
• InChIKey: SWHDGDYVZPQUCQ-FQEVSTJZSA-N
• XLogP: 5.92
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.56
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide?

The IUPAC name of N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide (CID 175920959) is N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide?

The canonical SMILES for N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide is Cc1ncnc(C(F)F)c1-c1cc2c(cc1F)c([C@H](NS(=O)(=O)C1CC1)C(F)F)cn2CC(C)(C)C.

What is the InChIKey of N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide?

The InChIKey is SWHDGDYVZPQUCQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27F5N4O2S/c1-12-19(21(23(28)29)31-11-30-12)15-8-18-14(7-17(15)25)16(9-33(18)10-24(2,3)4)20(22(26)27)32-36(34,35)13-5-6-13/h7-9,11,13,20,22-23,32H,5-6,10H2,1-4H3/t20-/m0/s1.

What are the key properties of N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide?

N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide has a molecular weight of 530.56 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide is sourced from PubChem (CID 175920959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).