6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane

C43H40F10N8O6S4 — CID 158060970

About 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane

6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane (PubChem CID 158060970) has the molecular formula C43H40F10N8O6S4 and a molecular weight of 1083.09 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane.

Molecular Properties

• Compound Name: 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane
• PubChem CID: 158060970
• Molecular Formula: C43H40F10N8O6S4
• Molecular Weight: 1083.09 g/mol
• Exact Mass: 1082.18
• IUPAC Name: 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane
• SMILES: C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(O)cc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F.S.S
• InChI: InChI=1S/C22H18F6N4O3S.C21H18F4N4O3S.2H2S/c1-11(22(26,27)28)31-36(33,34)13-5-6-17(30-10-13)20-15(9-29)14-7-16(23)19(35-21(24)25)8-18(14)32(20)12-3-2-4-12;1-11(21(23,24)25)28-33(31,32)13-5-6-17(27-10-13)20-15(9-26)14-7-16(22)19(30)8-18(14)29(20)12-3-2-4-12;;/h5-8,10-12,21,31H,2-4H2,1H3;5-8,10-12,28,30H,2-4H2,1H3;2*1H2/t2*11-;;/m00../s1
• InChIKey: FKQDOOOICHWKIH-KOPOVESLSA-N
• XLogP: 9.87
• TPSA: 205.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1083.09
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane?

The IUPAC name of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane (CID 158060970) is 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane.

What is the SMILES notation for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane?

The canonical SMILES for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(O)cc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F.S.S.

What is the InChIKey of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane?

The InChIKey is FKQDOOOICHWKIH-KOPOVESLSA-N. The full InChI is InChI=1S/C22H18F6N4O3S.C21H18F4N4O3S.2H2S/c1-11(22(26,27)28)31-36(33,34)13-5-6-17(30-10-13)20-15(9-29)14-7-16(23)19(35-21(24)25)8-18(14)32(20)12-3-2-4-12;1-11(21(23,24)25)28-33(31,32)13-5-6-17(27-10-13)20-15(9-26)14-7-16(22)19(30)8-18(14)29(20)12-3-2-4-12;;/h5-8,10-12,21,31H,2-4H2,1H3;5-8,10-12,28,30H,2-4H2,1H3;2*1H2/t2*11-;;/m00../s1.

What are the key properties of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane?

6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane has a molecular weight of 1083.09 g/mol, XLogP of 9.87, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane is sourced from PubChem (CID 158060970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).