2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate

C123H113F13N18O16S3 — CID 158367599

About 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate

2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate (PubChem CID 158367599) has the molecular formula C123H113F13N18O16S3 and a molecular weight of 2442.54 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate.

Molecular Properties

• Compound Name: 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
• PubChem CID: 158367599
• Molecular Formula: C123H113F13N18O16S3
• Molecular Weight: 2442.54 g/mol
• Exact Mass: 2440.75
• IUPAC Name: 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(N)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCCF)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
• InChI: InChI=1S/C22H22FN3O3.C21H18F3N3O3S.C21H20F3N3O3S.C21H19F2N3O3.C20H18F3N3O3S.C18H16FN3O/c1-5-26-20-11-15(28-4)7-8-16(20)17(12-24)21(26)14-6-9-19(18(23)10-14)25-22(27)29-13(2)3;1-2-27-19-11-15(30-21(22,23)24)7-10-17(19)18(12-25)20(27)13-3-5-14(6-4-13)26-31(28,29)16-8-9-16;1-3-11-31(28,29)26-15-7-5-14(6-8-15)20-18(13-25)17-10-9-16(30-21(22,23)24)12-19(17)27(20)4-2;1-3-26-19-11-14(28-2)5-6-15(19)16(12-24)20(26)13-4-7-18(17(23)10-13)25-21(27)29-9-8-22;1-3-26-18-11-15(29-20(21,22)23)9-10-16(18)17(12-24)19(26)13-5-7-14(8-6-13)25-30(27,28)4-2;1-3-22-17-9-12(23-2)5-6-13(17)14(10-20)18(22)11-4-7-16(21)15(19)8-11/h6-11,13H,5H2,1-4H3,(H,25,27);3-7,10-11,16,26H,2,8-9H2,1H3;5-10,12,26H,3-4,11H2,1-2H3;4-7,10-11H,3,8-9H2,1-2H3,(H,25,27);5-11,25H,3-4H2,1-2H3;4-9H,3,21H2,1-2H3
• InChIKey: GUFJGUVZEOQBSQ-UHFFFAOYSA-N
• XLogP: 29.21
• TPSA: 468.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2442.54
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?

The IUPAC name of 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate (CID 158367599) is 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate.

What is the SMILES notation for 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?

The canonical SMILES for 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(N)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCCF)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.

What is the InChIKey of 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?

The InChIKey is GUFJGUVZEOQBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3.C21H18F3N3O3S.C21H20F3N3O3S.C21H19F2N3O3.C20H18F3N3O3S.C18H16FN3O/c1-5-26-20-11-15(28-4)7-8-16(20)17(12-24)21(26)14-6-9-19(18(23)10-14)25-22(27)29-13(2)3;1-2-27-19-11-15(30-21(22,23)24)7-10-17(19)18(12-25)20(27)13-3-5-14(6-4-13)26-31(28,29)16-8-9-16;1-3-11-31(28,29)26-15-7-5-14(6-8-15)20-18(13-25)17-10-9-16(30-21(22,23)24)12-19(17)27(20)4-2;1-3-26-19-11-14(28-2)5-6-15(19)16(12-24)20(26)13-4-7-18(17(23)10-13)25-21(27)29-9-8-22;1-3-26-18-11-15(29-20(21,22)23)9-10-16(18)17(12-24)19(26)13-5-7-14(8-6-13)25-30(27,28)4-2;1-3-22-17-9-12(23-2)5-6-13(17)14(10-20)18(22)11-4-7-16(21)15(19)8-11/h6-11,13H,5H2,1-4H3,(H,25,27);3-7,10-11,16,26H,2,8-9H2,1H3;5-10,12,26H,3-4,11H2,1-2H3;4-7,10-11H,3,8-9H2,1-2H3,(H,25,27);5-11,25H,3-4H2,1-2H3;4-9H,3,21H2,1-2H3.

What are the key properties of 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?

2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate has a molecular weight of 2442.54 g/mol, XLogP of 29.21, 33 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate is sourced from PubChem (CID 158367599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).