4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile

C101H88ClN13O7S — CID 159808067

About 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile

4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile (PubChem CID 159808067) has the molecular formula C101H88ClN13O7S and a molecular weight of 1663.42 g/mol. Its IUPAC name is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
• PubChem CID: 159808067
• Molecular Formula: C101H88ClN13O7S
• Molecular Weight: 1663.42 g/mol
• Exact Mass: 1661.63
• IUPAC Name: 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
• SMILES: CCn1c(-c2cc3ccccc3[nH]2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc3c(c2)CCO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(ccn3C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3ccccc3c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C22H18N2O.C21H19N3O.C20H17N3O.C20H18N2O2.C18H16ClN3O2S/c1-3-24-21-13-18(25-2)10-11-19(21)20(14-23)22(24)17-9-8-15-6-4-5-7-16(15)12-17;1-4-24-20-12-16(25-3)6-7-17(20)18(13-22)21(24)15-5-8-19-14(11-15)9-10-23(19)2;1-3-23-19-11-14(24-2)8-9-15(19)16(12-21)20(23)18-10-13-6-4-5-7-17(13)22-18;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2/h4-13H,3H2,1-2H3;5-12H,4H2,1-3H3;4-11,22H,3H2,1-2H3;4-7,10-11H,3,8-9H2,1-2H3;4-10,21H,3H2,1-2H3
• InChIKey: NKQSBKVKCHTZGA-UHFFFAOYSA-N
• XLogP: 22.66
• TPSA: 256.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1663.42
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile?

The IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile (CID 159808067) is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile.

What is the SMILES notation for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile?

The canonical SMILES for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile is CCn1c(-c2cc3ccccc3[nH]2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc3c(c2)CCO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(ccn3C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3ccccc3c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile?

The InChIKey is NKQSBKVKCHTZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O.C21H19N3O.C20H17N3O.C20H18N2O2.C18H16ClN3O2S/c1-3-24-21-13-18(25-2)10-11-19(21)20(14-23)22(24)17-9-8-15-6-4-5-7-16(15)12-17;1-4-24-20-12-16(25-3)6-7-17(20)18(13-22)21(24)15-5-8-19-14(11-15)9-10-23(19)2;1-3-23-19-11-14(24-2)8-9-15(19)16(12-21)20(23)18-10-13-6-4-5-7-17(13)22-18;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2/h4-13H,3H2,1-2H3;5-12H,4H2,1-3H3;4-11,22H,3H2,1-2H3;4-7,10-11H,3,8-9H2,1-2H3;4-10,21H,3H2,1-2H3.

What are the key properties of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile?

4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile has a molecular weight of 1663.42 g/mol, XLogP of 22.66, 16 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile is sourced from PubChem (CID 159808067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).