4-Methoxybenzenesulfonamide - CAS 1129-26-6
Catalog: |
BB003080 |
Product Name: |
4-Methoxybenzenesulfonamide |
CAS: |
1129-26-6 |
Synonyms: |
4-methoxybenzenesulfonamide |
IUPAC Name: | 4-methoxybenzenesulfonamide |
Description: | 4-Methoxybenzenesulfonamide (CAS# 1129-26-6) is a useful research chemical. |
Molecular Weight: | 187.22 |
Molecular Formula: | C7H9NO3S |
Canonical SMILES: | COC1=CC=C(C=C1)S(=O)(=O)N |
InChI: | InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10) |
InChI Key: | MSFQEZBRFPAFEX-UHFFFAOYSA-N |
Boiling Point: | 352.2 °C at 760 mmHg |
Melting Point: | 111-115 °C |
Purity: | 95 % |
Density: | 1.314 g/cm3 |
Appearance: | Crystalline powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00025392 |
LogP: | 2.12370 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113511990-A | N-protected (E) -2- (aminomethyl) -1, 3-diphenylprop-2-en-1-one derivatives and preparation thereof | 20210630 |
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PMID | Publication Date | Title | Journal |
21130650 | 20110101 | Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II) | Bioorganic & medicinal chemistry letters |
20415416 | 20100527 | Entropic contribution to the linking coefficient in fragment based drug design: a case study | Journal of medicinal chemistry |
15686889 | 20050215 | Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters | Bioorganic & medicinal chemistry letters |
15482943 | 20041115 | Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition activity of benzene sulfonamides: a molecular connectivity approach | Bioorganic & medicinal chemistry letters |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.03031432 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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