2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
C93H72Cl6N16O13S5 — CID 158717512
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)s1.NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C20H18ClN3O3S.C19H14Cl2N2O3S.C19H13ClN6O.C18H14ClN3O3S.C17H13ClN2O3S2/c1-24(2)28(26,27)16-9-6-14(7-10-16)20(25)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19;1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18;20-16-6-5-14(9-15(16)17-3-1-2-8-22-17)25-19(27)13-4-7-18(23-10-13)26-12-21-11-24-26;19-16-9-6-13(11-15(16)17-3-1-2-10-21-17)22-18(23)12-4-7-14(8-5-12)26(20,24)25;1-25(22,23)16-8-7-15(24-16)17(21)20-11-5-6-13(18)12(10-11)14-4-2-3-9-19-14/h3-13H,1-2H3,(H,23,25);2-11H,1H3,(H,23,24);1-12H,(H,25,27);1-11H,(H,22,23)(H2,20,24,25);2-10H,1H3,(H,20,21)
InChIKeyIJMRRDBWAMMTOB-UHFFFAOYSA-N
MW1994.75 g/mol
LogP19.67
Rot. Bonds21
About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 158717512) has the molecular formula C93H72Cl6N16O13S5 and a molecular weight of 1994.75 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158717512 |
| Molecular Formula | C93H72Cl6N16O13S5 |
| Molecular Weight | 1994.75 g/mol |
| Exact Mass | 1990.22 |
| IUPAC Name | 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide |
| SMILES | CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)s1.NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cncn2)nc1 |
| InChI | InChI=1S/C20H18ClN3O3S.C19H14Cl2N2O3S.C19H13ClN6O.C18H14ClN3O3S.C17H13ClN2O3S2/c1-24(2)28(26,27)16-9-6-14(7-10-16)20(25)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19;1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18;20-16-6-5-14(9-15(16)17-3-1-2-8-22-17)25-19(27)13-4-7-18(23-10-13)26-12-21-11-24-26;19-16-9-6-13(11-15(16)17-3-1-2-10-21-17)22-18(23)12-4-7-14(8-5-12)26(20,24)25;1-25(22,23)16-8-7-15(24-16)17(21)20-11-5-6-13(18)12(10-11)14-4-2-3-9-19-14/h3-13H,1-2H3,(H,23,25);2-11H,1H3,(H,23,24);1-12H,(H,25,27);1-11H,(H,22,23)(H2,20,24,25);2-10H,1H3,(H,20,21) |
| InChIKey | IJMRRDBWAMMTOB-UHFFFAOYSA-N |
| XLogP | 19.67 |
| TPSA | 419.37 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 133 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1994.75 |
| LogP ≤ 5 | 19.67 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 23 |
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 158717512) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)s1.NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cncn2)nc1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is IJMRRDBWAMMTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S.C19H14Cl2N2O3S.C19H13ClN6O.C18H14ClN3O3S.C17H13ClN2O3S2/c1-24(2)28(26,27)16-9-6-14(7-10-16)20(25)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19;1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18;20-16-6-5-14(9-15(16)17-3-1-2-8-22-17)25-19(27)13-4-7-18(23-10-13)26-12-21-11-24-26;19-16-9-6-13(11-15(16)17-3-1-2-10-21-17)22-18(23)12-4-7-14(8-5-12)26(20,24)25;1-25(22,23)16-8-7-15(24-16)17(21)20-11-5-6-13(18)12(10-11)14-4-2-3-9-19-14/h3-13H,1-2H3,(H,23,25);2-11H,1H3,(H,23,24);1-12H,(H,25,27);1-11H,(H,22,23)(H2,20,24,25);2-10H,1H3,(H,20,21).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 1994.75 g/mol, XLogP of 19.67, 21 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158717512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158717512 — identifiers, structure, computed properties (public domain)
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