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

C46H46BClF8N8O6S2 — CID 162171767

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

6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 162171767) has the molecular formula C46H46BClF8N8O6S2 and a molecular weight of 1069.31 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 162171767
• Molecular Formula: C46H46BClF8N8O6S2
• Molecular Weight: 1069.31 g/mol
• Exact Mass: 1068.26
• IUPAC Name: 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(F)(F)F.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCCC1.Cc1cc2c(cc1F)c(C#N)c(B(O)O)n2C1CCCC1
• InChI: InChI=1S/C23H22F4N4O2S.C15H16BFN2O2.C8H8ClF3N2O2S/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;1-9-6-14-11(7-13(9)17)12(8-18)15(16(20)21)19(14)10-4-2-3-5-10;1-5(8(10,11)12)14-17(15,16)6-2-3-7(9)13-4-6/h7-10,12,14-15,30H,3-6H2,1-2H3;6-7,10,20-21H,2-5H2,1H3;2-5,14H,1H3/t14-;;5-/m1.1/s1
• InChIKey: ZNWSQYSIXOLIRY-XEKHIUTLSA-N
• XLogP: 9.09
• TPSA: 216.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1069.31
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 162171767) is 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

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

The canonical SMILES for 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(F)(F)F.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCCC1.Cc1cc2c(cc1F)c(C#N)c(B(O)O)n2C1CCCC1.

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

The InChIKey is ZNWSQYSIXOLIRY-XEKHIUTLSA-N. The full InChI is InChI=1S/C23H22F4N4O2S.C15H16BFN2O2.C8H8ClF3N2O2S/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;1-9-6-14-11(7-13(9)17)12(8-18)15(16(20)21)19(14)10-4-2-3-5-10;1-5(8(10,11)12)14-17(15,16)6-2-3-7(9)13-4-6/h7-10,12,14-15,30H,3-6H2,1-2H3;6-7,10,20-21H,2-5H2,1H3;2-5,14H,1H3/t14-;;5-/m1.1/s1.

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

6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 1069.31 g/mol, XLogP of 9.09, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 162171767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).