2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile

C99H92BrClF6N12O10S2 — CID 158849482

About 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile

2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 158849482) has the molecular formula C99H92BrClF6N12O10S2 and a molecular weight of 1903.38 g/mol. Its IUPAC name is 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
• PubChem CID: 158849482
• Molecular Formula: C99H92BrClF6N12O10S2
• Molecular Weight: 1903.38 g/mol
• Exact Mass: 1900.53
• IUPAC Name: 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OCCBr)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C21H22ClN3O3S.C21H23N3O3S.C20H19BrN2O2.C19H15F3N2O.C18H13F3N2O/c1-3-25-20-13-17(28-2)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-29(26,27)12-4-11-22;1-4-12-28(25,26)23-16-8-6-15(7-9-16)21-19(14-22)18-11-10-17(27-3)13-20(18)24(21)5-2;1-3-23-19-12-16(24-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)25-11-10-21;1-3-24-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(24)12-4-7-14(25-2)8-5-12;1-2-23-16-9-12(18(19,20)21)5-8-14(16)15(10-22)17(23)11-3-6-13(24)7-4-11/h5-10,13,24H,3-4,11-12H2,1-2H3;6-11,13,23H,4-5,12H2,1-3H3;4-9,12H,3,10-11H2,1-2H3;4-10H,3H2,1-2H3;3-9,24H,2H2,1H3
• InChIKey: IZGNDBCJKAFHHX-UHFFFAOYSA-N
• XLogP: 24.07
• TPSA: 302.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1903.38
LogP ≤ 5	24.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile?

The IUPAC name of 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile (CID 158849482) is 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile.

What is the SMILES notation for 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile?

The canonical SMILES for 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(OCCBr)cc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile?

The InChIKey is IZGNDBCJKAFHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S.C21H23N3O3S.C20H19BrN2O2.C19H15F3N2O.C18H13F3N2O/c1-3-25-20-13-17(28-2)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-29(26,27)12-4-11-22;1-4-12-28(25,26)23-16-8-6-15(7-9-16)21-19(14-22)18-11-10-17(27-3)13-20(18)24(21)5-2;1-3-23-19-12-16(24-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)25-11-10-21;1-3-24-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(24)12-4-7-14(25-2)8-5-12;1-2-23-16-9-12(18(19,20)21)5-8-14(16)15(10-22)17(23)11-3-6-13(24)7-4-11/h5-10,13,24H,3-4,11-12H2,1-2H3;6-11,13,23H,4-5,12H2,1-3H3;4-9,12H,3,10-11H2,1-2H3;4-10H,3H2,1-2H3;3-9,24H,2H2,1H3.

What are the key properties of 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile?

2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 1903.38 g/mol, XLogP of 24.07, 26 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-bromoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 158849482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).