Benzenesulfonamide - CAS 98-10-2
Catalog: |
BB042112 |
Product Name: |
Benzenesulfonamide |
CAS: |
98-10-2 |
Synonyms: |
Benzenesulfonyl amine; Benzenesulphonamide; M and B 7973; NSC 5341; NSC 85506; Phenylsulfonamide |
IUPAC Name: | benzenesulfonamide |
Description: | Benzenesulfonamide ia an inhibitor of carbonic anhydrases. |
Molecular Weight: | 157.19 |
Molecular Formula: | C6H7NO2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N |
InChI: | InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) |
InChI Key: | KHBQMWCZKVMBLN-UHFFFAOYSA-N |
Boiling Point: | 315.5±25.0°C at 760 mmHg |
Melting Point: | 149-152°C |
Purity: | ≥95% |
Density: | 1.327±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to Off-white Powder, Crystals and/or Chunks |
Storage: | Store at RT |
MDL: | MFCD00007930 |
LogP: | 2.11510 |
Vapor Pressure: | 0.000894 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021100191-A1 | Rice cultivar l-208 | 20201216 |
US-2021100192-A1 | Rice cultivar m-211 | 20201216 |
US-11006596-B2 | Rice cultivar L-208 | 20201216 |
US-11013192-B2 | Rice cultivar M-211 | 20201216 |
US-2021185963-A1 | Soybean varieties | 20191220 |
PMID | Publication Date | Title | Journal |
33245928 | 20210105 | Combined 3-O-acetylbetulin treatment and carbonic anhydrase IX inhibition results in additive effects on human breast cancer cells | Chemico-biological interactions |
32105470 | 20200326 | Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors | Journal of medicinal chemistry |
31244114 | 20200312 | Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-α Motif Kinase (ZAK) Inhibitors | Journal of medicinal chemistry |
31525966 | 20200312 | Inhibition of the Cytolytic Protein Perforin Prevents Rejection of Transplanted Bone Marrow Stem Cells in Vivo | Journal of medicinal chemistry |
29446949 | 20190110 | Positive and Negative Allosteric Modulators of N-Methyl-d-aspartate (NMDA) Receptors: Structure-Activity Relationships and Mechanisms of Action | Journal of medicinal chemistry |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.01974964 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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