4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate

C116H111ClN16O15S3 — CID 161227602

About 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate

4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate (PubChem CID 161227602) has the molecular formula C116H111ClN16O15S3 and a molecular weight of 2100.91 g/mol. Its IUPAC name is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate.

Molecular Properties

• Compound Name: 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
• PubChem CID: 161227602
• Molecular Formula: C116H111ClN16O15S3
• Molecular Weight: 2100.91 g/mol
• Exact Mass: 2098.73
• IUPAC Name: 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
• SMILES: CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3c(C#N)c4ccc(OC)cc4n3CC)c2)cc1.CCOc1ccc2cc(-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.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC(C)C)c2c1
• InChI: InChI=1S/C31H26N4O3.C28H26N4O4.C21H23N3O3S.C19H22N2O3S.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;1-4-32-25-16-22(35-3)13-14-23(25)24(17-29)26(32)19-7-6-8-21(15-19)31-28(34)30-20-11-9-18(10-12-20)27(33)36-5-2;1-14(2)13-24-20-11-17(27-3)9-10-18(20)19(12-22)21(24)15-5-7-16(8-6-15)23-28(4,25)26;1-4-21-18(12-15-8-11-17(24-5-2)13-19(15)21)14-6-9-16(10-7-14)20-25(3,22)23;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);6-16H,4-5H2,1-3H3,(H2,30,31,34);5-11,14,23H,13H2,1-4H3;6-13,20H,4-5H2,1-3H3;3-9H,2H2,1H3,(H2,20,22,23)
• InChIKey: UYIDMPBLALAMOA-UHFFFAOYSA-N
• XLogP: 25.49
• TPSA: 427.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2100.91
LogP ≤ 5	25.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate?

The IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate (CID 161227602) is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate.

What is the SMILES notation for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate?

The canonical SMILES for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3c(C#N)c4ccc(OC)cc4n3CC)c2)cc1.CCOc1ccc2cc(-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.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC(C)C)c2c1.

What is the InChIKey of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate?

The InChIKey is UYIDMPBLALAMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O3.C28H26N4O4.C21H23N3O3S.C19H22N2O3S.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;1-4-32-25-16-22(35-3)13-14-23(25)24(17-29)26(32)19-7-6-8-21(15-19)31-28(34)30-20-11-9-18(10-12-20)27(33)36-5-2;1-14(2)13-24-20-11-17(27-3)9-10-18(20)19(12-22)21(24)15-5-7-16(8-6-15)23-28(4,25)26;1-4-21-18(12-15-8-11-17(24-5-2)13-19(15)21)14-6-9-16(10-7-14)20-25(3,22)23;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);6-16H,4-5H2,1-3H3,(H2,30,31,34);5-11,14,23H,13H2,1-4H3;6-13,20H,4-5H2,1-3H3;3-9H,2H2,1H3,(H2,20,22,23).

What are the key properties of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate?

4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate has a molecular weight of 2100.91 g/mol, XLogP of 25.49, 29 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate is sourced from PubChem (CID 161227602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).