| CAS Number | 134187-80-7 |
| Catalog Number | AG009X6Q(AGN-PC-0WNR72) |
| Chemical Name | N-cyclohexyl-4-methyl-3-nitrobenzenesulfonamide |
| IUPAC Name | N-cyclohexyl-4-methyl-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C13H18N2O4S/c1-10-7-8-12(9-13(10)15(16)17)20(18,19)14-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 |
| InChI Key | MTTBINMZDLWGLQ-UHFFFAOYSA-N |
| MDL Number | MFCD00577548 |
| Molecular Formula | C13H18N2O4S |
| Molecular Weight | 298.3580 |
| SMILES | [O-][N+](=O)c1cc(ccc1C)S(=O)(=O)NC1CCCCC1 |
| Synonyms | N-cyclohexyl-4-methyl-3-nitrobenzenesulfonamide,
134187-80-7,
N-Cyclohexyl-4-methyl-3-nitro-benzenesulfonamide,
AC1MDH3K,
Cambridge id 5243506,
CBDivE_013617,
SCHEMBL9796179,
ZINC3996081,
KM5735,
STK095934,
AKOS000384089,
MCULE-1729734439,
BAS 02206250,
ST061359,
Z9749,
AB00076484-01,
cyclohexyl[(4-methyl-3-nitrophenyl)sulfonyl]amine,
C13H18N2O4S,
ZINC03996081,
CID2836741,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.357g/mol |
| Monoisotopic Mass | 298.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number