2-(tert-Butyl)benzenesulfonamide - CAS 193013-72-8
Catalog: |
BB014919 |
Product Name: |
2-(tert-Butyl)benzenesulfonamide |
CAS: |
193013-72-8 |
Synonyms: |
2-tert-butylbenzenesulfonamide; 2-tert-butylbenzenesulfonamide |
IUPAC Name: | 2-tert-butylbenzenesulfonamide |
Description: | 2-tert-Butylbenzenesulfonamide can be used as reactant in preparation of benzimidazole derivatives for inhibiting neoplastic cells. |
Molecular Weight: | 213.30 |
Molecular Formula: | C10H15NO2S |
Canonical SMILES: | CC(C)(C)C1=CC=CC=C1S(=O)(=O)N |
InChI: | InChI=1S/C10H15NO2S/c1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13) |
InChI Key: | CEKMRJVRIRSIFF-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
US-10842798-B1 | Charged ion channel blockers and methods for use | 20191106 |
US-2021128578-A1 | Charged ion channel blockers and methods for use | 20191106 |
US-2021128589-A1 | Phosphonium ion channel blockers and methods for use | 20191106 |
US-2021130380-A1 | Phosphonium ion channel blockers and methods for use | 20191106 |
US-2020290953-A1 | Charged Ion Channel Blockers and Methods for Use | 20190311 |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.08234989 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.08234989 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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