| CAS Number | 439928-67-3 |
| Catalog Number | AG01B9WD |
| Chemical Name | N-(4-methylpyrimidin-2-yl)-4-nitrobenzene-1-sulfonamide |
| IUPAC Name | N-(4-methylpyrimidin-2-yl)-4-nitrobenzenesulfonamide |
| InChI | InChI=1S/C11H10N4O4S/c1-8-6-7-12-11(13-8)14-20(18,19)10-4-2-9(3-5-10)15(16)17/h2-7H,1H3,(H,12,13,14) |
| InChI Key | GDPNLPBBDUFJTI-UHFFFAOYSA-N |
| MDL Number | MFCD02930745 |
| Molecular Formula | C11H10N4O4S |
| Molecular Weight | 294.2865 |
| SMILES | CC1=NC(NS(C2=CC=C([N+]([O-])=O)C=C2)(=O)=O)=NC=C1 |
| Synonyms | N-(4-methylpyrimidin-2-yl)-4-nitrobenzenesulfonamide,
439928-67-3,
N-(4-methylpyrimidin-2-yl)-4-nitrobenzene-1-sulfonamide,
AC1M3T1M,
Oprea1_493863,
ZINC2865402,
STK204160,
AKOS003327291,
MCULE-3455091390,
ST50667523,
SR-01000284065,
SR-01000284065-1,
(4-methylpyrimidin-2-yl)[(4-nitrophenyl)sulfonyl]amine,
ZINC02865402,
CID2218571,
|
| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.285g/mol |
| Monoisotopic Mass | 294.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number