2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile

C138H108ClF3N16O12S2 — CID 158925193

About 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile

2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile (PubChem CID 158925193) has the molecular formula C138H108ClF3N16O12S2 and a molecular weight of 2339.06 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
• PubChem CID: 158925193
• Molecular Formula: C138H108ClF3N16O12S2
• Molecular Weight: 2339.06 g/mol
• Exact Mass: 2336.74
• IUPAC Name: 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
• SMILES: CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(Cl)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2cccc3ccccc23)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccccc2)c(C#N)c2ccc(O)cc21
• InChI: InChI=1S/C23H16N2O.C20H13F3N2O.C20H16N2O2.C19H13ClN2O.C19H19N3O3S.C19H14N2O.C18H17N3O3S/c1-2-25-22(21(15-24)20-12-11-18(26)14-23(20)25)13-10-17-8-5-7-16-6-3-4-9-19(16)17;1-2-25-18(17(12-24)16-9-8-15(26)11-19(16)25)10-5-13-3-6-14(7-4-13)20(21,22)23;1-3-22-19(11-6-14-4-8-16(24-2)9-5-14)18(13-21)17-10-7-15(23)12-20(17)22;1-2-22-18(10-5-13-3-6-14(20)7-4-13)17(12-21)16-9-8-15(23)11-19(16)22;1-3-22-18-11-15(23)9-10-16(18)17(12-20)19(22)13-5-7-14(8-6-13)21-26(24,25)4-2;1-2-21-18(11-8-14-6-4-3-5-7-14)17(13-20)16-10-9-15(22)12-19(16)21;1-3-21-17-10-14(22)8-9-15(17)16(11-19)18(21)12-4-6-13(7-5-12)20-25(2,23)24/h3-9,11-12,14,26H,2H2,1H3;3-4,6-9,11,26H,2H2,1H3;4-5,7-10,12,23H,3H2,1-2H3;3-4,6-9,11,23H,2H2,1H3;5-11,21,23H,3-4H2,1-2H3;3-7,9-10,12,22H,2H2,1H3;4-10,20,22H,3H2,1-2H3
• InChIKey: JIITXAWJFLNQIW-UHFFFAOYSA-N
• XLogP: 27.97
• TPSA: 444.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2339.06
LogP ≤ 5	27.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

The IUPAC name of 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile (CID 158925193) is 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile.

What is the SMILES notation for 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

The canonical SMILES for 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile is CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(Cl)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2cccc3ccccc23)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccccc2)c(C#N)c2ccc(O)cc21.

What is the InChIKey of 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

The InChIKey is JIITXAWJFLNQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O.C20H13F3N2O.C20H16N2O2.C19H13ClN2O.C19H19N3O3S.C19H14N2O.C18H17N3O3S/c1-2-25-22(21(15-24)20-12-11-18(26)14-23(20)25)13-10-17-8-5-7-16-6-3-4-9-19(16)17;1-2-25-18(17(12-24)16-9-8-15(26)11-19(16)25)10-5-13-3-6-14(7-4-13)20(21,22)23;1-3-22-19(11-6-14-4-8-16(24-2)9-5-14)18(13-21)17-10-7-15(23)12-20(17)22;1-2-22-18(10-5-13-3-6-14(20)7-4-13)17(12-21)16-9-8-15(23)11-19(16)22;1-3-22-18-11-15(23)9-10-16(18)17(12-20)19(22)13-5-7-14(8-6-13)21-26(24,25)4-2;1-2-21-18(11-8-14-6-4-3-5-7-14)17(13-20)16-10-9-15(22)12-19(16)21;1-3-21-17-10-14(22)8-9-15(17)16(11-19)18(21)12-4-6-13(7-5-12)20-25(2,23)24/h3-9,11-12,14,26H,2H2,1H3;3-4,6-9,11,26H,2H2,1H3;4-5,7-10,12,23H,3H2,1-2H3;3-4,6-9,11,23H,2H2,1H3;5-11,21,23H,3-4H2,1-2H3;3-7,9-10,12,22H,2H2,1H3;4-10,20,22H,3H2,1-2H3.

What are the key properties of 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile?

2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile has a molecular weight of 2339.06 g/mol, XLogP of 27.97, 15 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-hydroxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-6-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile is sourced from PubChem (CID 158925193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).