| CAS Number | 98491-06-6 |
| Catalog Number | AG01ACQH |
| Chemical Name | 2-Chloro-5-(dimethylsulfamoyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-chloro-5-(dimethylsulfamoyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H9Cl2NO4S2/c1-11(2)17(14,15)6-3-4-7(9)8(5-6)16(10,12)13/h3-5H,1-2H3 |
| InChI Key | BTTMSFAENXCAJC-UHFFFAOYSA-N |
| MDL Number | MFCD09729704 |
| Molecular Formula | C8H9Cl2NO4S2 |
| Molecular Weight | 318.1974 |
| SMILES | CN(S(C1=CC(S(Cl)(=O)=O)=C(Cl)C=C1)(=O)=O)C |
| Synonyms | 2-chloro-5-(dimethylsulfamoyl)benzene-1-sulfonyl chloride,
98491-06-6,
CTK6H1291,
AKOS000138503,
ZINC100491015,
NE57553,
2-CHLORO-5-[(DIMETHYLAMINO)SULFONYL]BENZENESULFONYL CHLORIDE,
|
| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.183g/mol |
| Monoisotopic Mass | 316.935g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number