3-Bromo-N-methylbenzenesulfonamide - CAS 153435-79-1
Catalog: |
BB010898 |
Product Name: |
3-Bromo-N-methylbenzenesulfonamide |
CAS: |
153435-79-1 |
Synonyms: |
3-bromo-N-methylbenzenesulfonamide; 3-bromo-N-methylbenzenesulfonamide |
IUPAC Name: | 3-bromo-N-methylbenzenesulfonamide |
Description: | 3-Bromo-N-methylbenzenesulfonamide (CAS# 153435-79-1) is a useful research chemical. |
Molecular Weight: | 250.11 |
Molecular Formula: | C7H8BrNO2S |
Canonical SMILES: | CNS(=O)(=O)C1=CC(=CC=C1)Br |
InChI: | InChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5,9H,1H3 |
InChI Key: | UVSNSICXRVZAJR-UHFFFAOYSA-N |
Boiling Point: | 343 ℃ at 760 mmHg |
Density: | 1.601 g/cm3 |
LogP: | 2.82890 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112778276-A | Compound as SHP2 inhibitor and application thereof | 20191108 |
WO-2021088945-A1 | Compound as shp2 inhibitor and use thereof | 20191108 |
CN-110857301-A | Method for preparing TNNI3K inhibitor | 20180823 |
EP-3817817-A1 | Nlrp modulators | 20180703 |
CN-109422748-A | The method for synthesizing TNNI3K inhibitor | 20170821 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.94591 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.94591 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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