N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile

C112H122ClN15O13S4 — CID 159442977

About N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile

N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile (PubChem CID 159442977) has the molecular formula C112H122ClN15O13S4 and a molecular weight of 2050.02 g/mol. Its IUPAC name is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile
• PubChem CID: 159442977
• Molecular Formula: C112H122ClN15O13S4
• Molecular Weight: 2050.02 g/mol
• Exact Mass: 2047.79
• IUPAC Name: N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile
• SMILES: CCCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(=O)(=O)CCC)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3[nH]ccc3c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C23H26ClN3O3S.C23H25N3O3S.2C23H27N3O3S.C20H17N3O/c1-3-4-13-27-22-15-19(30-2)10-11-20(22)21(16-25)23(27)17-6-8-18(9-7-17)26-31(28,29)14-5-12-24;1-3-4-13-26-22-14-18(29-2)9-12-20(22)21(15-24)23(26)16-5-7-17(8-6-16)25-30(27,28)19-10-11-19;1-5-6-13-26-22-14-19(29-4)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25-30(27,28)16(2)3;1-4-6-13-26-22-15-19(29-3)11-12-20(22)21(16-24)23(26)17-7-9-18(10-8-17)25-30(27,28)14-5-2;1-3-23-19-11-15(24-2)5-6-16(19)17(12-21)20(23)14-4-7-18-13(10-14)8-9-22-18/h6-11,15,26H,3-5,12-14H2,1-2H3;5-9,12,14,19,25H,3-4,10-11,13H2,1-2H3;7-12,14,16,25H,5-6,13H2,1-4H3;7-12,15,25H,4-6,13-14H2,1-3H3;4-11,22H,3H2,1-2H3
• InChIKey: LSKCJUKUWOTOJI-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 390.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 38
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.02
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile?

The IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile (CID 159442977) is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile.

What is the SMILES notation for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile?

The canonical SMILES for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile is CCCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(=O)(=O)CCC)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3[nH]ccc3c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile?

The InChIKey is LSKCJUKUWOTOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3S.C23H25N3O3S.2C23H27N3O3S.C20H17N3O/c1-3-4-13-27-22-15-19(30-2)10-11-20(22)21(16-25)23(27)17-6-8-18(9-7-17)26-31(28,29)14-5-12-24;1-3-4-13-26-22-14-18(29-2)9-12-20(22)21(15-24)23(26)16-5-7-17(8-6-16)25-30(27,28)19-10-11-19;1-5-6-13-26-22-14-19(29-4)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25-30(27,28)16(2)3;1-4-6-13-26-22-15-19(29-3)11-12-20(22)21(16-24)23(26)17-7-9-18(10-8-17)25-30(27,28)14-5-2;1-3-23-19-11-15(24-2)5-6-16(19)17(12-21)20(23)14-4-7-18-13(10-14)8-9-22-18/h6-11,15,26H,3-5,12-14H2,1-2H3;5-9,12,14,19,25H,3-4,10-11,13H2,1-2H3;7-12,14,16,25H,5-6,13H2,1-4H3;7-12,15,25H,4-6,13-14H2,1-3H3;4-11,22H,3H2,1-2H3.

What are the key properties of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile?

N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile has a molecular weight of 2050.02 g/mol, XLogP of 25.22, 38 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 159442977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).