1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide

C30H26F4N4O5S2 — CID 86274853

About 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide

1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide (PubChem CID 86274853) has the molecular formula C30H26F4N4O5S2 and a molecular weight of 662.69 g/mol. Its IUPAC name is 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide
• PubChem CID: 86274853
• Molecular Formula: C30H26F4N4O5S2
• Molecular Weight: 662.69 g/mol
• Exact Mass: 662.13
• IUPAC Name: 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide
• SMILES: N#Cc1cccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ncc(C(F)(F)F)cc4F)cc3C3(CCS(=O)(=O)CC3)C2C2CC2)c1
• InChI: InChI=1S/C30H26F4N4O5S2/c31-24-14-21(30(32,33)34)16-36-25(24)17-37-28(39)20-6-7-26-23(13-20)29(8-10-44(40,41)11-9-29)27(19-4-5-19)38(26)45(42,43)22-3-1-2-18(12-22)15-35/h1-3,6-7,12-14,16,19,27H,4-5,8-11,17H2,(H,37,39)
• InChIKey: SVNOMGQUPJFQLS-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 137.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	662.69
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide?

The IUPAC name of 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide (CID 86274853) is 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide.

What is the SMILES notation for 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide?

The canonical SMILES for 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide is N#Cc1cccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ncc(C(F)(F)F)cc4F)cc3C3(CCS(=O)(=O)CC3)C2C2CC2)c1.

What is the InChIKey of 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide?

The InChIKey is SVNOMGQUPJFQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F4N4O5S2/c31-24-14-21(30(32,33)34)16-36-25(24)17-37-28(39)20-6-7-26-23(13-20)29(8-10-44(40,41)11-9-29)27(19-4-5-19)38(26)45(42,43)22-3-1-2-18(12-22)15-35/h1-3,6-7,12-14,16,19,27H,4-5,8-11,17H2,(H,37,39).

What are the key properties of 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide?

1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide has a molecular weight of 662.69 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyanophenyl)sulfonyl-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide is sourced from PubChem (CID 86274853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).