| CAS Number | 949321-46-4 |
| Catalog Number | AG019KY1 |
| Chemical Name | N1-cyclohexyl-N1-methylbenzene-1,2-disulfonamide |
| IUPAC Name | 2-N-cyclohexyl-2-N-methylbenzene-1,2-disulfonamide |
| InChI | InChI=1S/C13H20N2O4S2/c1-15(11-7-3-2-4-8-11)21(18,19)13-10-6-5-9-12(13)20(14,16)17/h5-6,9-11H,2-4,7-8H2,1H3,(H2,14,16,17) |
| InChI Key | AAUVVCHGNHSEJG-UHFFFAOYSA-N |
| MDL Number | MFCD09802110 |
| Molecular Formula | C13H20N2O4S2 |
| Molecular Weight | 332.4389 |
| SMILES | CN(S(C1=C(S(N)(=O)=O)C=CC=C1)(=O)=O)C1CCCCC1 |
| Synonyms | 1-N-cyclohexyl-1-N-methylbenzene-1,2-disulfonamide,
949321-46-4,
N-cyclohexyl-N-methylbenzene-1,2-disulfonamide,
N1-cyclohexyl-N1-methylbenzene-1,2-disulfonamide,
AC1Q3X7F,
CTK6I1296,
ZINC12891386,
AKOS033871755,
MCULE-2757446157,
NE24202,
EN300-28952,
Z235363069,
|
| Complexity | 542 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.433g/mol |
| Monoisotopic Mass | 332.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number