N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile

C111H104ClF8IN18O18S5 — CID 158016258

IUPACN-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C)cc1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(OC)cc21.Cn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C22H24ClN3O3S.2C20H19F2N3O3S.C19H17F2N3O3S.C18H15F2N3O3S.C12H10IN3O3/c1-3-13-30(27,28)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-12-11-23)14-21(19)26(22)4-2;1-3-10-25-18-11-15(28-20(21)22)8-9-16(18)17(12-23)19(25)13-4-6-14(7-5-13)24-29(2,26)27;1-3-25-18-11-15(28-20(21)22)9-10-16(18)17(12-23)19(25)13-5-7-14(8-6-13)24-29(26,27)4-2;1-3-28(25,26)23-13-6-4-12(5-7-13)18-16(11-22)15-9-8-14(27-19(20)21)10-17(15)24(18)2;1-23-16-9-13(26-18(19)20)7-8-14(16)15(10-21)17(23)11-3-5-12(6-4-11)22-27(2,24)25;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/h5-10,14,25H,3-4,11-13H2,1-2H3;4-9,11,20,24H,3,10H2,1-2H3;5-11,20,24H,3-4H2,1-2H3;4-10,19,23H,3H2,1-2H3;3-9,18,22H,1-2H3;4-5H,3H2,1-2H3
InChIKeyZBDSFLHHRGBRMQ-UHFFFAOYSA-N
MW2452.84 g/mol
LogP24.92
Rot. Bonds37

About N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile

N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile (PubChem CID 158016258) has the molecular formula C111H104ClF8IN18O18S5 and a molecular weight of 2452.84 g/mol. Its IUPAC name is N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile.

Molecular Properties

Compound NameN-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile
PubChem CID158016258
Molecular FormulaC111H104ClF8IN18O18S5
Molecular Weight2452.84 g/mol
Exact Mass2450.50
IUPAC NameN-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C)cc1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(OC)cc21.Cn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C22H24ClN3O3S.2C20H19F2N3O3S.C19H17F2N3O3S.C18H15F2N3O3S.C12H10IN3O3/c1-3-13-30(27,28)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-12-11-23)14-21(19)26(22)4-2;1-3-10-25-18-11-15(28-20(21)22)8-9-16(18)17(12-23)19(25)13-4-6-14(7-5-13)24-29(2,26)27;1-3-25-18-11-15(28-20(21)22)9-10-16(18)17(12-23)19(25)13-5-7-14(8-6-13)24-29(26,27)4-2;1-3-28(25,26)23-13-6-4-12(5-7-13)18-16(11-22)15-9-8-14(27-19(20)21)10-17(15)24(18)2;1-23-16-9-13(26-18(19)20)7-8-14(16)15(10-21)17(23)11-3-5-12(6-4-11)22-27(2,24)25;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/h5-10,14,25H,3-4,11-13H2,1-2H3;4-9,11,20,24H,3,10H2,1-2H3;5-11,20,24H,3-4H2,1-2H3;4-10,19,23H,3H2,1-2H3;3-9,18,22H,1-2H3;4-5H,3H2,1-2H3
InChIKeyZBDSFLHHRGBRMQ-UHFFFAOYSA-N
XLogP24.92
TPSA501.69 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds37
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002452.84
LogP ≤ 524.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile?
The IUPAC name of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile (CID 158016258) is N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile.
What is the SMILES notation for N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile?
The canonical SMILES for N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C)cc1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(OC)cc21.Cn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21.
What is the InChIKey of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile?
The InChIKey is ZBDSFLHHRGBRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S.2C20H19F2N3O3S.C19H17F2N3O3S.C18H15F2N3O3S.C12H10IN3O3/c1-3-13-30(27,28)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-12-11-23)14-21(19)26(22)4-2;1-3-10-25-18-11-15(28-20(21)22)8-9-16(18)17(12-23)19(25)13-4-6-14(7-5-13)24-29(2,26)27;1-3-25-18-11-15(28-20(21)22)9-10-16(18)17(12-23)19(25)13-5-7-14(8-6-13)24-29(26,27)4-2;1-3-28(25,26)23-13-6-4-12(5-7-13)18-16(11-22)15-9-8-14(27-19(20)21)10-17(15)24(18)2;1-23-16-9-13(26-18(19)20)7-8-14(16)15(10-21)17(23)11-3-5-12(6-4-11)22-27(2,24)25;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/h5-10,14,25H,3-4,11-13H2,1-2H3;4-9,11,20,24H,3,10H2,1-2H3;5-11,20,24H,3-4H2,1-2H3;4-10,19,23H,3H2,1-2H3;3-9,18,22H,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile?
N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile has a molecular weight of 2452.84 g/mol, XLogP of 24.92, 37 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile is sourced from PubChem (CID 158016258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).