6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane

C44H39BrF12N8O6S4 — CID 158661236

About 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane

6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane (PubChem CID 158661236) has the molecular formula C44H39BrF12N8O6S4 and a molecular weight of 1211.99 g/mol. Its IUPAC name is 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane.

Molecular Properties

• Compound Name: 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane
• PubChem CID: 158661236
• Molecular Formula: C44H39BrF12N8O6S4
• Molecular Weight: 1211.99 g/mol
• Exact Mass: 1210.09
• IUPAC Name: 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-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)c3c(Br)c(F)c(OC(F)F)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/C22H17BrF6N4O3S.C22H18F6N4O3S.2H2S/c1-10(22(27,28)29)32-37(34,35)12-5-6-14(31-9-12)20-13(8-30)17-15(33(20)11-3-2-4-11)7-16(36-21(25)26)19(24)18(17)23;1-11(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;;/h5-7,9-11,21,32H,2-4H2,1H3;5-8,10-12,21,31H,2-4H2,1H3;2*1H2/t10-;11-;;/m00../s1
• InChIKey: ICUBGKFRRDPBDV-KMSDJKQTSA-N
• XLogP: 11.53
• TPSA: 194.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1211.99
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane?

The IUPAC name of 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane (CID 158661236) is 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane.

What is the SMILES notation for 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane?

The canonical SMILES for 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-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)c3c(Br)c(F)c(OC(F)F)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-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane?

The InChIKey is ICUBGKFRRDPBDV-KMSDJKQTSA-N. The full InChI is InChI=1S/C22H17BrF6N4O3S.C22H18F6N4O3S.2H2S/c1-10(22(27,28)29)32-37(34,35)12-5-6-14(31-9-12)20-13(8-30)17-15(33(20)11-3-2-4-11)7-16(36-21(25)26)19(24)18(17)23;1-11(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;;/h5-7,9-11,21,32H,2-4H2,1H3;5-8,10-12,21,31H,2-4H2,1H3;2*1H2/t10-;11-;;/m00../s1.

What are the key properties of 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane?

6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane has a molecular weight of 1211.99 g/mol, XLogP of 11.53, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-bromo-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-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane is sourced from PubChem (CID 158661236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).