6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C46H45BrF6N8O4S2 — CID 159502175

About 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159502175) has the molecular formula C46H45BrF6N8O4S2 and a molecular weight of 1031.94 g/mol. Its IUPAC name is 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 159502175
• Molecular Formula: C46H45BrF6N8O4S2
• Molecular Weight: 1031.94 g/mol
• Exact Mass: 1030.21
• IUPAC Name: 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: Cc1cc2c(cc1Br)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCCC1.Cc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn3)n(C3CCCC3)c2c1
• InChI: InChI=1S/C23H22BrF3N4O2S.C23H23F3N4O2S/c1-13-9-21-17(10-19(13)24)18(11-28)22(31(21)15-5-3-4-6-15)20-8-7-16(12-29-20)34(32,33)30-14(2)23(25,26)27;1-14-7-9-18-19(12-27)22(30(21(18)11-14)16-5-3-4-6-16)20-10-8-17(13-28-20)33(31,32)29-15(2)23(24,25)26/h7-10,12,14-15,30H,3-6H2,1-2H3;7-11,13,15-16,29H,3-6H2,1-2H3/t14-;15-/m11/s1
• InChIKey: LZNJHONQFFTDLM-UBWXLAFLSA-N
• XLogP: 11.22
• TPSA: 175.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.94
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 159502175) is 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1cc2c(cc1Br)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCCC1.Cc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn3)n(C3CCCC3)c2c1.

What is the InChIKey of 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is LZNJHONQFFTDLM-UBWXLAFLSA-N. The full InChI is InChI=1S/C23H22BrF3N4O2S.C23H23F3N4O2S/c1-13-9-21-17(10-19(13)24)18(11-28)22(31(21)15-5-3-4-6-15)20-8-7-16(12-29-20)34(32,33)30-14(2)23(25,26)27;1-14-7-9-18-19(12-27)22(30(21(18)11-14)16-5-3-4-6-16)20-10-8-17(13-28-20)33(31,32)29-15(2)23(24,25)26/h7-10,12,14-15,30H,3-6H2,1-2H3;7-11,13,15-16,29H,3-6H2,1-2H3/t14-;15-/m11/s1.

What are the key properties of 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 1031.94 g/mol, XLogP of 11.22, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159502175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).