2-[Bis(methylsulfonyl)amino]benzonitrile - CAS 235100-91-1
Catalog: |
BB018082 |
Product Name: |
2-[Bis(methylsulfonyl)amino]benzonitrile |
CAS: |
235100-91-1 |
Synonyms: |
N-(2-cyanophenyl)-N-methylsulfonylmethanesulfonamide; N-(2-cyanophenyl)-N-methylsulfonylmethanesulfonamide |
IUPAC Name: | N-(2-cyanophenyl)-N-methylsulfonylmethanesulfonamide |
Description: | 2-[Bis(methylsulfonyl)amino]benzonitrile (CAS# 235100-91-1 ) is a useful research chemical. |
Molecular Weight: | 274.32 |
Molecular Formula: | C9H10N2O4S2 |
Canonical SMILES: | CS(=O)(=O)N(C1=CC=CC=C1C#N)S(=O)(=O)C |
InChI: | InChI=1S/C9H10N2O4S2/c1-16(12,13)11(17(2,14)15)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3 |
InChI Key: | WQIXEXYWRAYERZ-UHFFFAOYSA-N |
LogP: | 2.44548 |
Publication Number | Title | Priority Date |
AU-2015260905-A1 | Pyrazolopyridines and pyrazolopyrimidines | 20140514 |
EP-3143021-A1 | Pyrazolopyridines and pyrazolopyrimidines | 20140514 |
EP-3143021-B1 | Pyrazolopyridines and pyrazolopyrimidines | 20140514 |
ES-2737696-T3 | Pyrazolopyridines and pyrazolopyrimidines | 20140514 |
JP-2017515836-A | Pyrazolopyridine and pyrazolopyrimidine | 20140514 |
Complexity: | 486 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.00819915 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.00819915 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 112 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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