N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid

C148H153Cl4F3N16O15S3 — CID 159380101

About N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid

N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid (PubChem CID 159380101) has the molecular formula C148H153Cl4F3N16O15S3 and a molecular weight of 2690.96 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid
• PubChem CID: 159380101
• Molecular Formula: C148H153Cl4F3N16O15S3
• Molecular Weight: 2690.96 g/mol
• Exact Mass: 2686.96
• IUPAC Name: N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid
• SMILES: Cc1cc(OCCCc2c(C(F)(F)F)n(Cc3ccc(C(=O)O)cc3)c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(Cc3cccc(C(=O)NS(=O)(=O)c4ccccc4)c3)c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(Cc3cccc(C(=O)NS(=O)(=O)c4ccccn4)c3)c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(Cc3cccc(C(=O)NS(C)(=O)=O)c3)c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl
• InChI: InChI=1S/C40H41ClN4O4S.C39H40ClN5O4S.C35H39ClN4O4S.C34H33ClF3N3O3/c1-25-21-32(22-26(2)38(25)41)49-20-12-19-34-28(4)45(39-35(34)17-11-18-36(39)37-27(3)42-44(6)29(37)5)24-30-13-10-14-31(23-30)40(46)43-50(47,48)33-15-8-7-9-16-33;1-24-20-31(21-25(2)37(24)40)49-19-11-16-32-27(4)45(38-33(32)14-10-15-34(38)36-26(3)42-44(6)28(36)5)23-29-12-9-13-30(22-29)39(46)43-50(47,48)35-17-7-8-18-41-35;1-21-17-28(18-22(2)33(21)36)44-16-10-15-29-24(4)40(20-26-11-8-12-27(19-26)35(41)38-45(7,42)43)34-30(29)13-9-14-31(34)32-23(3)37-39(6)25(32)5;1-19-16-25(17-20(2)30(19)35)44-15-7-10-27-26-8-6-9-28(29-21(3)39-40(5)22(29)4)31(26)41(32(27)34(36,37)38)18-23-11-13-24(14-12-23)33(42)43/h7-11,13-18,21-23H,12,19-20,24H2,1-6H3,(H,43,46);7-10,12-15,17-18,20-22H,11,16,19,23H2,1-6H3,(H,43,46);8-9,11-14,17-19H,10,15-16,20H2,1-7H3,(H,38,41);6,8-9,11-14,16-17H,7,10,15,18H2,1-5H3,(H,42,43)
• InChIKey: LKUMEIRBZDLKRB-UHFFFAOYSA-N
• XLogP: 31.92
• TPSA: 367.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 41
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2690.96
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid?

The IUPAC name of N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid (CID 159380101) is N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid.

What is the SMILES notation for N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid?

The canonical SMILES for N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid is Cc1cc(OCCCc2c(C(F)(F)F)n(Cc3ccc(C(=O)O)cc3)c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(Cc3cccc(C(=O)NS(=O)(=O)c4ccccc4)c3)c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(Cc3cccc(C(=O)NS(=O)(=O)c4ccccn4)c3)c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(Cc3cccc(C(=O)NS(C)(=O)=O)c3)c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl.

What is the InChIKey of N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid?

The InChIKey is LKUMEIRBZDLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41ClN4O4S.C39H40ClN5O4S.C35H39ClN4O4S.C34H33ClF3N3O3/c1-25-21-32(22-26(2)38(25)41)49-20-12-19-34-28(4)45(39-35(34)17-11-18-36(39)37-27(3)42-44(6)29(37)5)24-30-13-10-14-31(23-30)40(46)43-50(47,48)33-15-8-7-9-16-33;1-24-20-31(21-25(2)37(24)40)49-19-11-16-32-27(4)45(38-33(32)14-10-15-34(38)36-26(3)42-44(6)28(36)5)23-29-12-9-13-30(22-29)39(46)43-50(47,48)35-17-7-8-18-41-35;1-21-17-28(18-22(2)33(21)36)44-16-10-15-29-24(4)40(20-26-11-8-12-27(19-26)35(41)38-45(7,42)43)34-30(29)13-9-14-31(34)32-23(3)37-39(6)25(32)5;1-19-16-25(17-20(2)30(19)35)44-15-7-10-27-26-8-6-9-28(29-21(3)39-40(5)22(29)4)31(26)41(32(27)34(36,37)38)18-23-11-13-24(14-12-23)33(42)43/h7-11,13-18,21-23H,12,19-20,24H2,1-6H3,(H,43,46);7-10,12-15,17-18,20-22H,11,16,19,23H2,1-6H3,(H,43,46);8-9,11-14,17-19H,10,15-16,20H2,1-7H3,(H,38,41);6,8-9,11-14,16-17H,7,10,15,18H2,1-5H3,(H,42,43).

What are the key properties of N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid?

N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid has a molecular weight of 2690.96 g/mol, XLogP of 31.92, 41 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-methylsulfonylbenzamide;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]-N-pyridin-2-ylsulfonylbenzamide;4-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 159380101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).