About N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide (PubChem CID 135057550) has the molecular formula C37H38N2O8S4
and a molecular weight of 766.99 g/mol. Its IUPAC name is N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide.
Molecular Properties
| Compound Name | N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide |
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| PubChem CID | 135057550 |
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| Molecular Formula | C37H38N2O8S4 |
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| Molecular Weight | 766.99 g/mol |
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| Exact Mass | 766.15 |
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| IUPAC Name | N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide |
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| SMILES | Cc1ccc(C(CN(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 |
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| InChI | InChI=1S/C37H38N2O8S4/c1-27-6-16-32(17-7-27)37(39(50(44,45)35-22-12-30(4)13-23-35)51(46,47)36-24-14-31(5)15-25-36)26-38(48(40,41)33-18-8-28(2)9-19-33)49(42,43)34-20-10-29(3)11-21-34/h6-25,37H,26H2,1-5H3 |
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| InChIKey | BJTJVIZBBBURPH-UHFFFAOYSA-N |
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| XLogP | 6.43 |
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| TPSA | 143.04 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 51 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 766.99 |
| LogP ≤ 5 | 6.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The IUPAC name of N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide (CID 135057550) is N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide is Cc1ccc(C(CN(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The InChIKey is BJTJVIZBBBURPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O8S4/c1-27-6-16-32(17-7-27)37(39(50(44,45)35-22-12-30(4)13-23-35)51(46,47)36-24-14-31(5)15-25-36)26-38(48(40,41)33-18-8-28(2)9-19-33)49(42,43)34-20-10-29(3)11-21-34/h6-25,37H,26H2,1-5H3.
What are the key properties of N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide has a molecular weight of 766.99 g/mol, XLogP of 6.43, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis-(4-methylphenyl)sulfonylamino]-2-(4-methylphenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 135057550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).