2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide

C112H96Cl2N16O12S — CID 158014032

About 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide

2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide (PubChem CID 158014032) has the molecular formula C112H96Cl2N16O12S and a molecular weight of 1961.07 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide
• PubChem CID: 158014032
• Molecular Formula: C112H96Cl2N16O12S
• Molecular Weight: 1961.07 g/mol
• Exact Mass: 1958.65
• IUPAC Name: 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide
• SMILES: CCn1c(-c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21
• InChI: InChI=1S/C27H25N3O4.C25H20N4O4.C25H21N3O2.C18H16ClN3O2S.C17H14ClN3/c1-5-30-23-15-20(32-2)11-12-21(23)22(16-28)26(30)17-6-8-18(9-7-17)27(31)29-19-10-13-24(33-3)25(14-19)34-4;1-3-28-23-14-20(33-2)12-13-21(23)22(15-26)24(28)16-4-6-17(7-5-16)25(30)27-18-8-10-19(11-9-18)29(31)32;1-3-28-23-15-20(30-2)13-14-21(23)22(16-26)24(28)17-9-11-18(12-10-17)25(29)27-19-7-5-4-6-8-19;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)21-25(2,23)24;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h6-15H,5H2,1-4H3,(H,29,31);4-14H,3H2,1-2H3,(H,27,30);4-15H,3H2,1-2H3,(H,27,29);4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3
• InChIKey: PAOBETMOVSOGRL-UHFFFAOYSA-N
• XLogP: 24.97
• TPSA: 392.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1961.07
LogP ≤ 5	24.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide?

The IUPAC name of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide (CID 158014032) is 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide.

What is the SMILES notation for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide?

The canonical SMILES for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide is CCn1c(-c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.

What is the InChIKey of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide?

The InChIKey is PAOBETMOVSOGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4.C25H20N4O4.C25H21N3O2.C18H16ClN3O2S.C17H14ClN3/c1-5-30-23-15-20(32-2)11-12-21(23)22(16-28)26(30)17-6-8-18(9-7-17)27(31)29-19-10-13-24(33-3)25(14-19)34-4;1-3-28-23-14-20(33-2)12-13-21(23)22(15-26)24(28)16-4-6-17(7-5-16)25(30)27-18-8-10-19(11-9-18)29(31)32;1-3-28-23-15-20(30-2)13-14-21(23)22(16-26)24(28)17-9-11-18(12-10-17)25(29)27-19-7-5-4-6-8-19;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)21-25(2,23)24;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h6-15H,5H2,1-4H3,(H,29,31);4-14H,3H2,1-2H3,(H,27,30);4-15H,3H2,1-2H3,(H,27,29);4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3.

What are the key properties of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide?

2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide has a molecular weight of 1961.07 g/mol, XLogP of 24.97, 24 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 158014032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).