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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile

C130H133ClF3N17O14S4 — CID 158035678

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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile (PubChem CID 158035678) has the molecular formula C130H133ClF3N17O14S4 and a molecular weight of 2378.31 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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile
• PubChem CID: 158035678
• Molecular Formula: C130H133ClF3N17O14S4
• Molecular Weight: 2378.31 g/mol
• Exact Mass: 2375.87
• 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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;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)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCNC1C(c2ccc(NS(=O)(=O)CC)cc2)=C(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc3[nH]ccc3c2)c(C#N)c2ccc(OC)cc21.N#Cc1cn(CC2CC2)c2cc(OC(F)(F)F)ccc12
• InChI: InChI=1S/C27H27N3O3S.C23H26ClN3O3S.C23H25N3O3S.C23H27N3O3S.C20H17N3O.C14H11F3N2O/c1-3-29-27-23-15-14-22(33-18-19-8-6-5-7-9-19)16-24(23)25(17-28)26(27)20-10-12-21(13-11-20)30-34(31,32)4-2;1-3-4-13-27-22-15-19(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;1-3-23-19-11-15(24-2)5-6-16(19)17(12-21)20(23)14-4-7-18-13(10-14)8-9-22-18;15-14(16,17)20-11-3-4-12-10(6-18)8-19(13(12)5-11)7-9-1-2-9/h5-16,27,29-30H,3-4,18H2,1-2H3;6-11,15,26H,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;4-11,22H,3H2,1-2H3;3-5,8-9H,1-2,7H2
• InChIKey: FHSIILIAHDINIY-UHFFFAOYSA-N
• XLogP: 29.03
• TPSA: 435.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 41
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.31
LogP ≤ 5	29.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', '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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile (CID 158035678) 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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;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)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCNC1C(c2ccc(NS(=O)(=O)CC)cc2)=C(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc3[nH]ccc3c2)c(C#N)c2ccc(OC)cc21.N#Cc1cn(CC2CC2)c2cc(OC(F)(F)F)ccc12.

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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile?

The InChIKey is FHSIILIAHDINIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S.C23H26ClN3O3S.C23H25N3O3S.C23H27N3O3S.C20H17N3O.C14H11F3N2O/c1-3-29-27-23-15-14-22(33-18-19-8-6-5-7-9-19)16-24(23)25(17-28)26(27)20-10-12-21(13-11-20)30-34(31,32)4-2;1-3-4-13-27-22-15-19(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;1-3-23-19-11-15(24-2)5-6-16(19)17(12-21)20(23)14-4-7-18-13(10-14)8-9-22-18;15-14(16,17)20-11-3-4-12-10(6-18)8-19(13(12)5-11)7-9-1-2-9/h5-16,27,29-30H,3-4,18H2,1-2H3;6-11,15,26H,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;4-11,22H,3H2,1-2H3;3-5,8-9H,1-2,7H2.

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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile has a molecular weight of 2378.31 g/mol, XLogP of 29.03, 41 rotatable bonds, 6 hydrogen bond donors, and 26 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-2-sulfonamide;N-[4-[3-cyano-1-(ethylamino)-5-phenylmethoxy-1H-inden-2-yl]phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 158035678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).