3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide
C102H95Cl6FN24O12S6 — CID 158027551
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cncn2-c2ncc(C)cc2Cl)c1.Cc1cc(C)cc(NS(=O)(=O)c2cnn(-c3ncc(C)cc3Cl)c2)c1.Cc1cccc(NS(=O)(=O)c2cncn2-c2ncc(C)cc2Cl)c1.Cc1cnc(-n2cncc2S(=O)(=O)Nc2ccc(C)c(C)c2)c(Cl)c1.Cc1cnc(-n2cncc2S(=O)(=O)Nc2ccc(F)c(C)c2)c(Cl)c1.Cc1cnc(-n2cncc2S(=O)(=O)Nc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C19H15ClN4O2S.3C17H17ClN4O2S.C16H14ClFN4O2S.C16H15ClN4O2S/c1-13-8-17(20)19(22-10-13)24-12-21-11-18(24)27(25,26)23-16-7-6-14-4-2-3-5-15(14)9-16;1-11-4-12(2)6-14(5-11)21-25(23,24)15-9-20-22(10-15)17-16(18)7-13(3)8-19-17;1-11-4-12(2)6-14(5-11)21-25(23,24)16-9-19-10-22(16)17-15(18)7-13(3)8-20-17;1-11-6-15(18)17(20-8-11)22-10-19-9-16(22)25(23,24)21-14-5-4-12(2)13(3)7-14;1-10-5-13(17)16(20-7-10)22-9-19-8-15(22)25(23,24)21-12-3-4-14(18)11(2)6-12;1-11-4-3-5-13(6-11)20-24(22,23)15-9-18-10-21(15)16-14(17)7-12(2)8-19-16/h2-12,23H,1H3;3*4-10,21H,1-3H3;3-9,21H,1-2H3;3-10,20H,1-2H3
InChIKeyFGTYHAGMQVCOCX-UHFFFAOYSA-N
MW2273.16 g/mol
LogP21.94
Rot. Bonds24
About 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide
3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide (PubChem CID 158027551) has the molecular formula C102H95Cl6FN24O12S6 and a molecular weight of 2273.16 g/mol. Its IUPAC name is 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide.
Molecular Properties
| Compound Name | 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide |
|---|---|
| PubChem CID | 158027551 |
| Molecular Formula | C102H95Cl6FN24O12S6 |
| Molecular Weight | 2273.16 g/mol |
| Exact Mass | 2268.40 |
| IUPAC Name | 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide |
| SMILES | Cc1cc(C)cc(NS(=O)(=O)c2cncn2-c2ncc(C)cc2Cl)c1.Cc1cc(C)cc(NS(=O)(=O)c2cnn(-c3ncc(C)cc3Cl)c2)c1.Cc1cccc(NS(=O)(=O)c2cncn2-c2ncc(C)cc2Cl)c1.Cc1cnc(-n2cncc2S(=O)(=O)Nc2ccc(C)c(C)c2)c(Cl)c1.Cc1cnc(-n2cncc2S(=O)(=O)Nc2ccc(F)c(C)c2)c(Cl)c1.Cc1cnc(-n2cncc2S(=O)(=O)Nc2ccc3ccccc3c2)c(Cl)c1 |
| InChI | InChI=1S/C19H15ClN4O2S.3C17H17ClN4O2S.C16H14ClFN4O2S.C16H15ClN4O2S/c1-13-8-17(20)19(22-10-13)24-12-21-11-18(24)27(25,26)23-16-7-6-14-4-2-3-5-15(14)9-16;1-11-4-12(2)6-14(5-11)21-25(23,24)15-9-20-22(10-15)17-16(18)7-13(3)8-19-17;1-11-4-12(2)6-14(5-11)21-25(23,24)16-9-19-10-22(16)17-15(18)7-13(3)8-20-17;1-11-6-15(18)17(20-8-11)22-10-19-9-16(22)25(23,24)21-14-5-4-12(2)13(3)7-14;1-10-5-13(17)16(20-7-10)22-9-19-8-15(22)25(23,24)21-12-3-4-14(18)11(2)6-12;1-11-4-3-5-13(6-11)20-24(22,23)15-9-18-10-21(15)16-14(17)7-12(2)8-19-16/h2-12,23H,1H3;3*4-10,21H,1-3H3;3-9,21H,1-2H3;3-10,20H,1-2H3 |
| InChIKey | FGTYHAGMQVCOCX-UHFFFAOYSA-N |
| XLogP | 21.94 |
| TPSA | 461.28 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 151 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2273.16 |
| LogP ≤ 5 | 21.94 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |
Frequently Asked Questions
What is the IUPAC name of 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide?
The IUPAC name of 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide (CID 158027551) is 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cncn2-c2ncc(C)cc2Cl)c1.Cc1cc(C)cc(NS(=O)(=O)c2cnn(-c3ncc(C)cc3Cl)c2)c1.Cc1cccc(NS(=O)(=O)c2cncn2-c2ncc(C)cc2Cl)c1.Cc1cnc(-n2cncc2S(=O)(=O)Nc2ccc(C)c(C)c2)c(Cl)c1.Cc1cnc(-n2cncc2S(=O)(=O)Nc2ccc(F)c(C)c2)c(Cl)c1.Cc1cnc(-n2cncc2S(=O)(=O)Nc2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide?
The InChIKey is FGTYHAGMQVCOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S.3C17H17ClN4O2S.C16H14ClFN4O2S.C16H15ClN4O2S/c1-13-8-17(20)19(22-10-13)24-12-21-11-18(24)27(25,26)23-16-7-6-14-4-2-3-5-15(14)9-16;1-11-4-12(2)6-14(5-11)21-25(23,24)15-9-20-22(10-15)17-16(18)7-13(3)8-19-17;1-11-4-12(2)6-14(5-11)21-25(23,24)16-9-19-10-22(16)17-15(18)7-13(3)8-20-17;1-11-6-15(18)17(20-8-11)22-10-19-9-16(22)25(23,24)21-14-5-4-12(2)13(3)7-14;1-10-5-13(17)16(20-7-10)22-9-19-8-15(22)25(23,24)21-12-3-4-14(18)11(2)6-12;1-11-4-3-5-13(6-11)20-24(22,23)15-9-18-10-21(15)16-14(17)7-12(2)8-19-16/h2-12,23H,1H3;3*4-10,21H,1-3H3;3-9,21H,1-2H3;3-10,20H,1-2H3.
What are the key properties of 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide?
3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide has a molecular weight of 2273.16 g/mol, XLogP of 21.94, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,4-dimethylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide;1-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)pyrazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide;3-(3-chloro-5-methyl-2-pyridinyl)-N-naphthalen-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 158027551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158027551 — identifiers, structure, computed properties (public domain)
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