1-(3-Nitrophenyl)methanesulfonamide - CAS 110654-66-5
Catalog: |
BB058775 |
Product Name: |
1-(3-Nitrophenyl)methanesulfonamide |
CAS: |
110654-66-5 |
Synonyms: |
3-Nitro-benzenemethanesulfonamide |
IUPAC Name: | (3-nitrophenyl)methanesulfonamide |
Description: | 1-(3-Nitrophenyl)methanesulfonamide is a useful synthetic intermediate. It can be used to synthesize synthesize disubstituted pyridine derivatives as inhibitors of the protein cyclin-dependent kinase (CDK). |
Molecular Weight: | 216.21 |
Molecular Formula: | C7H8N2O4S |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)N |
InChI: | InChI=1S/C7H8N2O4S/c8-14(12,13)5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2,(H2,8,12,13) |
InChI Key: | AJBITZYPLDRBOE-UHFFFAOYSA-N |
References: | Ruehter, G., et al. PCT Int. Appl., WO 2012117059 A1 20120907 (2012). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2016035008-A1 | Pyridopyrimidine derivatives as mek inhibitors | 20140904 |
AU-2015258781-A1 | Methods for inhibiting necroptosis | 20140515 |
CA-2948544-A1 | Methods for inhibiting necroptosis | 20140515 |
EP-3142667-A1 | Methods for inhibiting necroptosis | 20140515 |
JP-2017521477-A | Methods for inhibiting necroptosis | 20140515 |
US-2017114025-A1 | Methods for inhibiting necroptosis | 20140515 |
WO-2015172203-A1 | Methods for inhibiting necroptosis | 20140515 |
AU-2014373640-A1 | VAR2CSA-drug conjugates | 20131227 |
AU-2014373640-B2 | VAR2CSA-drug conjugates | 20131227 |
CA-2935064-A1 | Var2csa-drug conjugates | 20131227 |
Complexity: | 303 |
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: | 2 |
Topological Polar Surface Area: | 114Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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