2-Methyl-5-nitrobenzenesulfonamide - CAS 6269-91-6
Catalog: |
BB031737 |
Product Name: |
2-Methyl-5-nitrobenzenesulfonamide |
CAS: |
6269-91-6 |
Synonyms: |
2-methyl-5-nitrobenzenesulfonamide; 2-methyl-5-nitrobenzenesulfonamide |
IUPAC Name: | 2-methyl-5-nitrobenzenesulfonamide |
Description: | 2-Methyl-5-nitrobenzenesulfonamide (CAS# 6269-91-6) is a chemical reagent in the synthesis of good inhibitors of cancer-related carbonic anhydrase. Also used in the synthesis of novel deacetylase inhibitors used in anti-tumor therapy. |
Molecular Weight: | 216.21 |
Molecular Formula: | C7H8N2O4S |
Canonical SMILES: | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N |
InChI: | InChI=1S/C7H8N2O4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3,(H2,8,12,13) |
InChI Key: | CLXWMMGXFSZUNP-UHFFFAOYSA-N |
Boiling Point: | 431.4 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.475 g/cm3 |
LogP: | 2.85490 |
Publication Number | Title | Priority Date |
WO-2021026451-A1 | Compounds and method for treating cytokine release syndrome | 20190808 |
WO-2020186006-A1 | Rad51 inhibitors | 20190312 |
CN-109761944-A | A kind of chrysin amide derivatives and preparation method thereof and medical usage | 20190213 |
CN-107805212-B | Preparation method of 2-methyl-5-aminobenzenesulfonamide | 20171103 |
EP-3637524-A1 | Gelatinized system and applications in lithium air battery, super capacitor or capacitor battery in organic system | 20170526 |
PMID | Publication Date | Title | Journal |
21580027 | 20091212 | 2-Methyl-5-nitro-benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.02047791 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.02047791 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 114 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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