| CAS Number | 108227-53-8 |
| Catalog Number | AG0094C0(AGN-PC-0KLX86) |
| Chemical Name | N-butyl-4-methyl-3-nitrobenzenesulfonamide |
| IUPAC Name | N-butyl-4-methyl-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C11H16N2O4S/c1-3-4-7-12-18(16,17)10-6-5-9(2)11(8-10)13(14)15/h5-6,8,12H,3-4,7H2,1-2H3 |
| InChI Key | UMSNAWAFKANFKL-UHFFFAOYSA-N |
| MDL Number | MFCD00577535 |
| Molecular Formula | C11H16N2O4S |
| Molecular Weight | 272.3207 |
| SMILES | CCCCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C |
| Synonyms | N-butyl-4-methyl-3-nitrobenzenesulfonamide,
108227-53-8,
AC1MDH38,
CBDivE_015284,
SCHEMBL9735536,
ZINC4006701,
STK055461,
AKOS003265415,
MCULE-8476038820,
ST50703369,
Z7208,
butyl[(4-methyl-3-nitrophenyl)sulfonyl]amine,
SR-01000200578,
SR-01000200578-1,
C11H16N2O4S,
ZINC04006701,
CID2836737,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.319g/mol |
| Monoisotopic Mass | 272.083g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number