4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea

C128H124ClN19O17S5 — CID 158110912

IUPAC4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC)c2c1.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C31H26N4O3.C21H23N3O3S.2C20H21N3O3S.C19H19N3O3S.C17H14ClN3O2S/c1-3-35-29-19-26(37-2)16-17-27(29)28(20-32)30(35)21-8-7-9-23(18-21)34-31(36)33-22-12-14-25(15-13-22)38-24-10-5-4-6-11-24;1-4-24-20-13-17(27-5-2)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23-28(25,26)6-3;2*1-4-23-19-12-16(26-5-2)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22-27(3,24)25;1-4-25-15-9-10-16-17(12-20)19(22(2)18(16)11-15)13-5-7-14(8-6-13)21-26(3,23)24;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/h4-19H,3H2,1-2H3,(H2,33,34,36);7-13,23H,4-6H2,1-3H3;2*6-12,22H,4-5H2,1-3H3;5-11,21H,4H2,1-3H3;3-9H,2H2,1H3,(H2,20,22,23)
InChIKeyFQKNTWMWVGILKP-UHFFFAOYSA-N
MW2396.30 g/mol
LogP26.93
Rot. Bonds34

About 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea

4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea (PubChem CID 158110912) has the molecular formula C128H124ClN19O17S5 and a molecular weight of 2396.30 g/mol. Its IUPAC name is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea
PubChem CID158110912
Molecular FormulaC128H124ClN19O17S5
Molecular Weight2396.30 g/mol
Exact Mass2393.77
IUPAC Name4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC)c2c1.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C31H26N4O3.C21H23N3O3S.2C20H21N3O3S.C19H19N3O3S.C17H14ClN3O2S/c1-3-35-29-19-26(37-2)16-17-27(29)28(20-32)30(35)21-8-7-9-23(18-21)34-31(36)33-22-12-14-25(15-13-22)38-24-10-5-4-6-11-24;1-4-24-20-13-17(27-5-2)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23-28(25,26)6-3;2*1-4-23-19-12-16(26-5-2)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22-27(3,24)25;1-4-25-15-9-10-16-17(12-20)19(22(2)18(16)11-15)13-5-7-14(8-6-13)21-26(3,23)24;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/h4-19H,3H2,1-2H3,(H2,33,34,36);7-13,23H,4-6H2,1-3H3;2*6-12,22H,4-5H2,1-3H3;5-11,21H,4H2,1-3H3;3-9H,2H2,1H3,(H2,20,22,23)
InChIKeyFQKNTWMWVGILKP-UHFFFAOYSA-N
XLogP26.93
TPSA513.67 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds34
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002396.30
LogP ≤ 526.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea (CID 158110912) is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea is CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC)c2c1.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea?
The InChIKey is FQKNTWMWVGILKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O3.C21H23N3O3S.2C20H21N3O3S.C19H19N3O3S.C17H14ClN3O2S/c1-3-35-29-19-26(37-2)16-17-27(29)28(20-32)30(35)21-8-7-9-23(18-21)34-31(36)33-22-12-14-25(15-13-22)38-24-10-5-4-6-11-24;1-4-24-20-13-17(27-5-2)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23-28(25,26)6-3;2*1-4-23-19-12-16(26-5-2)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22-27(3,24)25;1-4-25-15-9-10-16-17(12-20)19(22(2)18(16)11-15)13-5-7-14(8-6-13)21-26(3,23)24;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/h4-19H,3H2,1-2H3,(H2,33,34,36);7-13,23H,4-6H2,1-3H3;2*6-12,22H,4-5H2,1-3H3;5-11,21H,4H2,1-3H3;3-9H,2H2,1H3,(H2,20,22,23).
What are the key properties of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea?
4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea has a molecular weight of 2396.30 g/mol, XLogP of 26.93, 34 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;bis(N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide);N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 158110912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).