6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C44H44BClF6N8O6S2 — CID 158524288

About 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 158524288) has the molecular formula C44H44BClF6N8O6S2 and a molecular weight of 1005.27 g/mol. Its IUPAC name is 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 158524288
• Molecular Formula: C44H44BClF6N8O6S2
• Molecular Weight: 1005.27 g/mol
• Exact Mass: 1004.25
• IUPAC Name: 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
• SMILES: Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(CF)CF)cn1)n2C1CCC1.Cc1cc2c(cc1F)c(C#N)c(B(O)O)n2C1CCC1.O=S(=O)(NC(CF)CF)c1ccc(Cl)nc1
• InChI: InChI=1S/C22H21F3N4O2S.C14H14BFN2O2.C8H9ClF2N2O2S/c1-13-7-21-17(8-19(13)25)18(11-26)22(29(21)15-3-2-4-15)20-6-5-16(12-27-20)32(30,31)28-14(9-23)10-24;1-8-5-13-10(6-12(8)16)11(7-17)14(15(19)20)18(13)9-3-2-4-9;9-8-2-1-7(5-12-8)16(14,15)13-6(3-10)4-11/h5-8,12,14-15,28H,2-4,9-10H2,1H3;5-6,9,19-20H,2-4H2,1H3;1-2,5-6,13H,3-4H2
• InChIKey: HMPDOSGJZQRXAK-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 216.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1005.27
LogP ≤ 5	7.02
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-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?

The IUPAC name of 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 158524288) is 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

What is the SMILES notation for 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?

The canonical SMILES for 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(CF)CF)cn1)n2C1CCC1.Cc1cc2c(cc1F)c(C#N)c(B(O)O)n2C1CCC1.O=S(=O)(NC(CF)CF)c1ccc(Cl)nc1.

What is the InChIKey of 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?

The InChIKey is HMPDOSGJZQRXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2S.C14H14BFN2O2.C8H9ClF2N2O2S/c1-13-7-21-17(8-19(13)25)18(11-26)22(29(21)15-3-2-4-15)20-6-5-16(12-27-20)32(30,31)28-14(9-23)10-24;1-8-5-13-10(6-12(8)16)11(7-17)14(15(19)20)18(13)9-3-2-4-9;9-8-2-1-7(5-12-8)16(14,15)13-6(3-10)4-11/h5-8,12,14-15,28H,2-4,9-10H2,1H3;5-6,9,19-20H,2-4H2,1H3;1-2,5-6,13H,3-4H2.

What are the key properties of 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?

6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 1005.27 g/mol, XLogP of 7.02, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 158524288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).