2'-(4-Methoxyphenoxy)-4'-nitromethanesulfonanilide - CAS 51765-76-5
Catalog: |
BB060098 |
Product Name: |
2'-(4-Methoxyphenoxy)-4'-nitromethanesulfonanilide |
CAS: |
51765-76-5 |
Synonyms: |
N-[2-(4-Methoxyphenoxy)-4-nitrophenyl]methanesulfonamide |
IUPAC Name: | N-[2-(4-methoxyphenoxy)-4-nitrophenyl]methanesulfonamide |
Description: | 2'-(4-Methoxyphenoxy)-4'-nitromethanesulfonanilide is an intermediate in the synthesis of Nimesulide (N477500) related compound. |
Molecular Weight: | 338.34 |
Molecular Formula: | C14H14N2O6S |
Canonical SMILES: | COC1=CC=C(C=C1)OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C |
InChI: | InChI=1S/C14H14N2O6S/c1-21-11-4-6-12(7-5-11)22-14-9-10(16(17)18)3-8-13(14)15-23(2,19)20/h3-9,15H,1-2H3 |
InChI Key: | OBTVYILXIRNVAP-UHFFFAOYSA-N |
Solubility: | DCM |
Appearance: | Yellow Solids |
References: | Li, F.P., et al. Chem. Res. Toxicol., 22, 72 (2009). |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-105384664-A | Novel crystal habit of nimesulide | 20151015 |
CN-103553984-A | 2-(4'-methoxy phenoxy)-4-nitro methanesulfonanilide crystal form and preparation method thereof | 20130314 |
CN-103553984-B | Mei Suoshuli crystal formation and preparation method thereof | 20130314 |
EP-1586557-A1 | 4-nitro-2- (4 -methoxy)-phenoxy -methanesulfonanilide derivates and their pharmaceutical use | 20021231 |
JP-2006512372-A | 4-Nitro-2-[(4'-methoxy) -phenoxy] -methanesulfonylaniline derivatives and their use in medicine | 20021231 |
JP-4690048-B2 | 4-Nitro-2-[(4'-methoxy) -phenoxy] -methanesulfonylaniline derivatives and their use in medicine | 20021231 |
US-2007060544-A1 | 4-Nitro-2-[(4'-methoxy)-phenoxy]-methanesulfonanilide derivatives and their pharmaceutical use | 20021231 |
WO-2004058697-A1 | 4-nitro-2-[(4'-methoxy)-phenoxy]-methanesulfonanilide derivates and their pharmaceutical use | 20021231 |
Complexity: | 492 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 338.05725734 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 338.05725734 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 119Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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