4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate

C97H90F4N18O11S4 — CID 162105241

About 4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate

4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate (PubChem CID 162105241) has the molecular formula C97H90F4N18O11S4 and a molecular weight of 1888.16 g/mol. Its IUPAC name is 4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;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-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 162105241
• Molecular Formula: C97H90F4N18O11S4
• Molecular Weight: 1888.16 g/mol
• Exact Mass: 1886.59
• IUPAC Name: 4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;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(OCCCn4cncn4)cc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(F)ccc21
• InChI: InChI=1S/C25H26N6O3.C19H18FN3O2S.2C18H16FN3O2S.C17H14FN3O2S/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;1-3-23-18-10-7-14(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)21-25(2,23)24;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;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(7-4-11)24(20,22)23/h5,7-10,13-14,16-17H,3-4,6,11-12H2,1-2H3,(H,29,32);5-11,22H,3-4H2,1-2H3;2*4-10,21H,3H2,1-2H3;3-9H,2H2,1H3,(H2,20,22,23)
• InChIKey: ZFKNOBOCRHEKSR-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 420.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1888.16
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;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-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate (CID 162105241) is 4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;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-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;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-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;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(OCCCn4cncn4)cc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(F)ccc21.

What is the InChIKey of 4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

The InChIKey is ZFKNOBOCRHEKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3.C19H18FN3O2S.2C18H16FN3O2S.C17H14FN3O2S/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;1-3-23-18-10-7-14(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)21-25(2,23)24;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;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(7-4-11)24(20,22)23/h5,7-10,13-14,16-17H,3-4,6,11-12H2,1-2H3,(H,29,32);5-11,22H,3-4H2,1-2H3;2*4-10,21H,3H2,1-2H3;3-9H,2H2,1H3,(H2,20,22,23).

What are the key properties of 4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;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 1888.16 g/mol, XLogP of 18.87, 25 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]methanesulfonamide;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 162105241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).