N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile

C107H108ClF3N14O11S3 — CID 162173089

IUPACN-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile
SMILESCCCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc3[nH]ccc3c2)c(C#N)c2ccc(OC)cc21.N#Cc1cn(CC2CC2)c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C27H27N3O3S.C23H26ClN3O3S.C23H27N3O3S.C20H17N3O.C14H11F3N2O/c1-3-16-30-26-15-14-23(33-19-20-8-6-5-7-9-20)17-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-3-4-13-27-22-15-19(30-2)10-11-20(22)21(16-25)23(27)17-6-8-18(9-7-17)26-31(28,29)14-5-12-24;1-5-6-13-26-22-14-19(29-4)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25-30(27,28)16(2)3;1-3-23-19-11-15(24-2)5-6-16(19)17(12-21)20(23)14-4-7-18-13(10-14)8-9-22-18;15-14(16,17)20-11-3-4-12-10(6-18)8-19(13(12)5-11)7-9-1-2-9/h5-15,17,29H,3-4,16,19H2,1-2H3;6-11,15,26H,3-5,12-14H2,1-2H3;7-12,14,16,25H,5-6,13H2,1-4H3;4-11,22H,3H2,1-2H3;3-5,8-9H,1-2,7H2
InChIKeyZOAUVMZUEGWIKD-UHFFFAOYSA-N
MW1954.78 g/mol
LogP24.94
Rot. Bonds33

About N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile

N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile (PubChem CID 162173089) has the molecular formula C107H108ClF3N14O11S3 and a molecular weight of 1954.78 g/mol. Its IUPAC name is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile.

Molecular Properties

Compound NameN-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile
PubChem CID162173089
Molecular FormulaC107H108ClF3N14O11S3
Molecular Weight1954.78 g/mol
Exact Mass1952.71
IUPAC NameN-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile
SMILESCCCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc3[nH]ccc3c2)c(C#N)c2ccc(OC)cc21.N#Cc1cn(CC2CC2)c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C27H27N3O3S.C23H26ClN3O3S.C23H27N3O3S.C20H17N3O.C14H11F3N2O/c1-3-16-30-26-15-14-23(33-19-20-8-6-5-7-9-20)17-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-3-4-13-27-22-15-19(30-2)10-11-20(22)21(16-25)23(27)17-6-8-18(9-7-17)26-31(28,29)14-5-12-24;1-5-6-13-26-22-14-19(29-4)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25-30(27,28)16(2)3;1-3-23-19-11-15(24-2)5-6-16(19)17(12-21)20(23)14-4-7-18-13(10-14)8-9-22-18;15-14(16,17)20-11-3-4-12-10(6-18)8-19(13(12)5-11)7-9-1-2-9/h5-15,17,29H,3-4,16,19H2,1-2H3;6-11,15,26H,3-5,12-14H2,1-2H3;7-12,14,16,25H,5-6,13H2,1-4H3;4-11,22H,3H2,1-2H3;3-5,8-9H,1-2,7H2
InChIKeyZOAUVMZUEGWIKD-UHFFFAOYSA-N
XLogP24.94
TPSA344.05 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001954.78
LogP ≤ 524.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile?
The IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile (CID 162173089) is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile.
What is the SMILES notation for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile?
The canonical SMILES for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile is CCCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc3[nH]ccc3c2)c(C#N)c2ccc(OC)cc21.N#Cc1cn(CC2CC2)c2cc(OC(F)(F)F)ccc12.
What is the InChIKey of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile?
The InChIKey is ZOAUVMZUEGWIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S.C23H26ClN3O3S.C23H27N3O3S.C20H17N3O.C14H11F3N2O/c1-3-16-30-26-15-14-23(33-19-20-8-6-5-7-9-20)17-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-3-4-13-27-22-15-19(30-2)10-11-20(22)21(16-25)23(27)17-6-8-18(9-7-17)26-31(28,29)14-5-12-24;1-5-6-13-26-22-14-19(29-4)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25-30(27,28)16(2)3;1-3-23-19-11-15(24-2)5-6-16(19)17(12-21)20(23)14-4-7-18-13(10-14)8-9-22-18;15-14(16,17)20-11-3-4-12-10(6-18)8-19(13(12)5-11)7-9-1-2-9/h5-15,17,29H,3-4,16,19H2,1-2H3;6-11,15,26H,3-5,12-14H2,1-2H3;7-12,14,16,25H,5-6,13H2,1-4H3;4-11,22H,3H2,1-2H3;3-5,8-9H,1-2,7H2.
What are the key properties of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile?
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile has a molecular weight of 1954.78 g/mol, XLogP of 24.94, 33 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-chloropropane-1-sulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;1-ethyl-2-(1H-indol-5-yl)-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 162173089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).