| CAS Number | 333319-70-3 |
| Catalog Number | AG019HL3 |
| Chemical Name | N-Benzyl-4-chloro-n-hydrazinocarbonylmethyl-benzenesulfonamide |
| IUPAC Name | N-benzyl-4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide |
| InChI | InChI=1S/C15H16ClN3O3S/c16-13-6-8-14(9-7-13)23(21,22)19(11-15(20)18-17)10-12-4-2-1-3-5-12/h1-9H,10-11,17H2,(H,18,20) |
| InChI Key | ZBOIPCWLZGGCJE-UHFFFAOYSA-N |
| MDL Number | MFCD02733036 |
| Molecular Formula | C15H16ClN3O3S |
| Molecular Weight | 353.8238 |
| SMILES | NNC(CN(S(C1=CC=C(Cl)C=C1)(=O)=O)CC1=CC=CC=C1)=O |
| Synonyms | N-Benzyl-4-chloro-N-hydrazinocarbonylmethyl-benzenesulfonamide,
EN300-03844,
N-benzyl-S-(4-chlorophenyl)-1-(hydrazinecarbonyl)methanesulfonamido,
333319-70-3,
AC1LLY2X,
AC1Q54XY,
Oprea1_401487,
Oprea1_667999,
CTK7F1086,
ZINC813090,
AKOS000116788,
MCULE-8884353323,
NE12283,
BAS 02174230,
SR-01000321191,
SR-01000321191-1,
Z56891344,
N-benzyl-4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide,
N-benzyl-4-chloro-N-[(hydrazinecarbonyl)methyl]benzene-1-sulfonamide,
ZINC00813090,
CID1092319,
|
| Complexity | 481 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.821g/mol |
| Monoisotopic Mass | 353.06g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number