4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile

C127H121ClF7N19O12S3 — CID 159364698

About 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile

4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile (PubChem CID 159364698) has the molecular formula C127H121ClF7N19O12S3 and a molecular weight of 2370.13 g/mol. Its IUPAC name is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile
• PubChem CID: 159364698
• Molecular Formula: C127H121ClF7N19O12S3
• Molecular Weight: 2370.13 g/mol
• Exact Mass: 2367.82
• IUPAC Name: 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile
• SMILES: CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCCC1C(c2ccc(NS(=O)(=O)CC)cc2)=C(C#N)c2ccc(OCC)cc21.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)c1.CCn1c(-c2ccc(CS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21
• InChI: InChI=1S/C25H26N6O3.C23H26N2O3S.C21H18F3N3O.C20H16F3N3O.C20H19FN2O2S.C18H16ClN3O2S/c1-3-31-23-14-20(34-12-6-11-30-17-27-16-28-30)9-10-21(23)22(15-26)24(31)18-7-5-8-19(13-18)29-25(32)33-4-2;1-4-7-20-21-14-18(28-5-2)12-13-19(21)22(15-24)23(20)16-8-10-17(11-9-16)25-29(26,27)6-3;1-3-19(28)26-15-8-5-13(6-9-15)20-17(12-25)16-10-7-14(21(22,23)24)11-18(16)27(20)4-2;1-3-26-18-10-14(20(21,22)23)6-9-16(18)17(11-24)19(26)13-4-7-15(8-5-13)25-12(2)27;1-3-23-19-10-9-16(21)11-17(19)18(12-22)20(23)15-7-5-14(6-8-15)13-26(24,25)4-2;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/h5,7-10,13-14,16-17H,3-4,6,11-12H2,1-2H3,(H,29,32);8-14,20,25H,4-7H2,1-3H3;5-11H,3-4H2,1-2H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27);5-11H,3-4,13H2,1-2H3;4-10,21H,3H2,1-2H3
• InChIKey: LIZBSKPJRXDKHL-UHFFFAOYSA-N
• XLogP: 28.79
• TPSA: 439.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2370.13
LogP ≤ 5	28.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile?

The IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile (CID 159364698) is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile.

What is the SMILES notation for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile?

The canonical SMILES for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile is CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCCC1C(c2ccc(NS(=O)(=O)CC)cc2)=C(C#N)c2ccc(OCC)cc21.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)c1.CCn1c(-c2ccc(CS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.

What is the InChIKey of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile?

The InChIKey is LIZBSKPJRXDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3.C23H26N2O3S.C21H18F3N3O.C20H16F3N3O.C20H19FN2O2S.C18H16ClN3O2S/c1-3-31-23-14-20(34-12-6-11-30-17-27-16-28-30)9-10-21(23)22(15-26)24(31)18-7-5-8-19(13-18)29-25(32)33-4-2;1-4-7-20-21-14-18(28-5-2)12-13-19(21)22(15-24)23(20)16-8-10-17(11-9-16)25-29(26,27)6-3;1-3-19(28)26-15-8-5-13(6-9-15)20-17(12-25)16-10-7-14(21(22,23)24)11-18(16)27(20)4-2;1-3-26-18-10-14(20(21,22)23)6-9-16(18)17(11-24)19(26)13-4-7-15(8-5-13)25-12(2)27;1-3-23-19-10-9-16(21)11-17(19)18(12-22)20(23)15-7-5-14(6-8-15)13-26(24,25)4-2;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/h5,7-10,13-14,16-17H,3-4,6,11-12H2,1-2H3,(H,29,32);8-14,20,25H,4-7H2,1-3H3;5-11H,3-4H2,1-2H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27);5-11H,3-4,13H2,1-2H3;4-10,21H,3H2,1-2H3.

What are the key properties of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile?

4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile has a molecular weight of 2370.13 g/mol, XLogP of 28.79, 33 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propyl-1H-inden-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[4-(ethylsulfonylmethyl)phenyl]-5-fluoroindole-3-carbonitrile is sourced from PubChem (CID 159364698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).