3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide

C138H146Cl2F4N18O18S6 — CID 158802782

About 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide

3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide (PubChem CID 158802782) has the molecular formula C138H146Cl2F4N18O18S6 and a molecular weight of 2684.09 g/mol. Its IUPAC name is 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide
• PubChem CID: 158802782
• Molecular Formula: C138H146Cl2F4N18O18S6
• Molecular Weight: 2684.09 g/mol
• Exact Mass: 2680.87
• IUPAC Name: 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CCCCl)cc3)n(C3CCC3)c2c1.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC(F)F)cc21
• InChI: InChI=1S/C24H26ClN3O3S.C24H25N3O3S.2C24H27N3O3S.C21H20ClF2N3O3S.C21H21F2N3O3S/c1-2-31-20-11-12-21-22(16-26)24(28(23(21)15-20)19-5-3-6-19)17-7-9-18(10-8-17)27-32(29,30)14-4-13-25;1-2-30-19-10-13-21-22(15-25)24(27(23(21)14-19)18-4-3-5-18)16-6-8-17(9-7-16)26-31(28,29)20-11-12-20;1-4-30-20-12-13-21-22(15-25)24(27(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)26-31(28,29)16(2)3;1-3-14-31(28,29)26-18-10-8-17(9-11-18)24-22(16-25)21-13-12-20(30-4-2)15-23(21)27(24)19-6-5-7-19;1-2-27-19-12-16(30-21(23)24)8-9-17(19)18(13-25)20(27)14-4-6-15(7-5-14)26-31(28,29)11-3-10-22;1-4-26-19-11-16(29-21(22)23)9-10-17(19)18(12-24)20(26)14-5-7-15(8-6-14)25-30(27,28)13(2)3/h7-12,15,19,27H,2-6,13-14H2,1H3;6-10,13-14,18,20,26H,2-5,11-12H2,1H3;8-14,16,19,26H,4-7H2,1-3H3;8-13,15,19,26H,3-7,14H2,1-2H3;4-9,12,21,26H,2-3,10-11H2,1H3;5-11,13,21,25H,4H2,1-3H3
• InChIKey: ITRVPCMKEBJKGL-UHFFFAOYSA-N
• XLogP: 31.91
• TPSA: 504.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 47
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2684.09
LogP ≤ 5	31.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide?

The IUPAC name of 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide (CID 158802782) is 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide.

What is the SMILES notation for 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide?

The canonical SMILES for 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CCCCl)cc3)n(C3CCC3)c2c1.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC(F)F)cc21.

What is the InChIKey of 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide?

The InChIKey is ITRVPCMKEBJKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S.C24H25N3O3S.2C24H27N3O3S.C21H20ClF2N3O3S.C21H21F2N3O3S/c1-2-31-20-11-12-21-22(16-26)24(28(23(21)15-20)19-5-3-6-19)17-7-9-18(10-8-17)27-32(29,30)14-4-13-25;1-2-30-19-10-13-21-22(15-25)24(27(23(21)14-19)18-4-3-5-18)16-6-8-17(9-7-16)26-31(28,29)20-11-12-20;1-4-30-20-12-13-21-22(15-25)24(27(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)26-31(28,29)16(2)3;1-3-14-31(28,29)26-18-10-8-17(9-11-18)24-22(16-25)21-13-12-20(30-4-2)15-23(21)27(24)19-6-5-7-19;1-2-27-19-12-16(30-21(23)24)8-9-17(19)18(13-25)20(27)14-4-6-15(7-5-14)26-31(28,29)11-3-10-22;1-4-26-19-11-16(29-21(22)23)9-10-17(19)18(12-24)20(26)14-5-7-15(8-6-14)25-30(27,28)13(2)3/h7-12,15,19,27H,2-6,13-14H2,1H3;6-10,13-14,18,20,26H,2-5,11-12H2,1H3;8-14,16,19,26H,4-7H2,1-3H3;8-13,15,19,26H,3-7,14H2,1-2H3;4-9,12,21,26H,2-3,10-11H2,1H3;5-11,13,21,25H,4H2,1-3H3.

What are the key properties of 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide?

3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide has a molecular weight of 2684.09 g/mol, XLogP of 31.91, 47 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 158802782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).