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

C48H50BClF4N8O6S2 — CID 157479788

About 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-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-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 157479788) has the molecular formula C48H50BClF4N8O6S2 and a molecular weight of 1021.37 g/mol. Its IUPAC name is 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-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-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 157479788
• Molecular Formula: C48H50BClF4N8O6S2
• Molecular Weight: 1021.37 g/mol
• Exact Mass: 1020.30
• IUPAC Name: 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
• SMILES: N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2cc(C3CC3)ccc12.N#Cc1c(B(O)O)n(C2CCC2)c2cc(C3CC3)ccc12.O=S(=O)(NC(CF)CF)c1ccc(Cl)nc1
• InChI: InChI=1S/C24H24F2N4O2S.C16H17BN2O2.C8H9ClF2N2O2S/c25-11-17(12-26)29-33(31,32)19-7-9-22(28-14-19)24-21(13-27)20-8-6-16(15-4-5-15)10-23(20)30(24)18-2-1-3-18;18-9-14-13-7-6-11(10-4-5-10)8-15(13)19(12-2-1-3-12)16(14)17(20)21;9-8-2-1-7(5-12-8)16(14,15)13-6(3-10)4-11/h6-10,14-15,17-18,29H,1-5,11-12H2;6-8,10,12,20-21H,1-5H2;1-2,5-6,13H,3-4H2
• InChIKey: BWALMQYKEZDURG-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 216.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1021.37
LogP ≤ 5	7.88
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-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-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-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 157479788) is 6-chloro-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-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-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-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-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2cc(C3CC3)ccc12.N#Cc1c(B(O)O)n(C2CCC2)c2cc(C3CC3)ccc12.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-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?

The InChIKey is BWALMQYKEZDURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2S.C16H17BN2O2.C8H9ClF2N2O2S/c25-11-17(12-26)29-33(31,32)19-7-9-22(28-14-19)24-21(13-27)20-8-6-16(15-4-5-15)10-23(20)30(24)18-2-1-3-18;18-9-14-13-7-6-11(10-4-5-10)8-15(13)19(12-2-1-3-12)16(14)17(20)21;9-8-2-1-7(5-12-8)16(14,15)13-6(3-10)4-11/h6-10,14-15,17-18,29H,1-5,11-12H2;6-8,10,12,20-21H,1-5H2;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-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-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-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 1021.37 g/mol, XLogP of 7.88, 16 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-6-cyclopropylindol-2-yl)boronic acid;6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 157479788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).