4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate

C135H132Cl2FN23O13S2 — CID 158613001

About 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate

4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate (PubChem CID 158613001) has the molecular formula C135H132Cl2FN23O13S2 and a molecular weight of 2438.73 g/mol. Its IUPAC name is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 158613001
• Molecular Formula: C135H132Cl2FN23O13S2
• Molecular Weight: 2438.73 g/mol
• Exact Mass: 2435.92
• IUPAC Name: 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
• SMILES: CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)c1.CCn1c(-c2ccc(N/C(C)=C/C#N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21
• InChI: InChI=1S/C28H28N4O2.C25H26N6O3.C23H24ClN3O3.C22H20N4O.C19H18FN3O2S.C18H16ClN3O2S/c1-5-32-26-16-23(34-4)14-15-24(26)25(17-29)27(32)20-8-12-22(13-9-20)31-28(33)30-21-10-6-19(7-11-21)18(2)3;1-3-31-23-14-20(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;1-3-27-21-14-18(30-12-6-11-24)9-10-19(21)20(15-25)22(27)16-7-5-8-17(13-16)26-23(28)29-4-2;1-4-26-21-13-18(27-3)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-15(2)11-12-23;1-3-23-18-10-7-14(20)11-16(18)17(12-21)19(23)13-5-8-15(9-6-13)22-26(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/h6-16,18H,5H2,1-4H3,(H2,30,31,33);5,7-10,13-14,16-17H,3-4,6,11-12H2,1-2H3,(H,29,32);5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H,26,28);5-11,13,25H,4H2,1-3H3;5-11,22H,3-4H2,1-2H3;4-10,21H,3H2,1-2H3/b;;;15-11+
• InChIKey: HXBGTMJRXZDCSN-SROJISHSSA-N
• XLogP: 30.49
• TPSA: 485.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.73
LogP ≤ 5	30.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

The IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate (CID 158613001) is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

The canonical SMILES for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)c1.CCn1c(-c2ccc(N/C(C)=C/C#N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21.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-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

The InChIKey is HXBGTMJRXZDCSN-SROJISHSSA-N. The full InChI is InChI=1S/C28H28N4O2.C25H26N6O3.C23H24ClN3O3.C22H20N4O.C19H18FN3O2S.C18H16ClN3O2S/c1-5-32-26-16-23(34-4)14-15-24(26)25(17-29)27(32)20-8-12-22(13-9-20)31-28(33)30-21-10-6-19(7-11-21)18(2)3;1-3-31-23-14-20(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;1-3-27-21-14-18(30-12-6-11-24)9-10-19(21)20(15-25)22(27)16-7-5-8-17(13-16)26-23(28)29-4-2;1-4-26-21-13-18(27-3)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-15(2)11-12-23;1-3-23-18-10-7-14(20)11-16(18)17(12-21)19(23)13-5-8-15(9-6-13)22-26(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/h6-16,18H,5H2,1-4H3,(H2,30,31,33);5,7-10,13-14,16-17H,3-4,6,11-12H2,1-2H3,(H,29,32);5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H,26,28);5-11,13,25H,4H2,1-3H3;5-11,22H,3-4H2,1-2H3;4-10,21H,3H2,1-2H3/b;;;15-11+;;.

What are the key properties of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 2438.73 g/mol, XLogP of 30.49, 37 rotatable bonds, 7 hydrogen bond donors, and 30 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-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158613001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).