| CAS Number | 247186-99-8 |
| Catalog Number | AG019L5J |
| Chemical Name | 4-(N-Methylsulfamoyl)benzenesulfonyl chloride |
| IUPAC Name | 4-(methylsulfamoyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H8ClNO4S2/c1-9-15(12,13)7-4-2-6(3-5-7)14(8,10)11/h2-5,9H,1H3 |
| InChI Key | BYFIYJHEXYSWEU-UHFFFAOYSA-N |
| MDL Number | MFCD09813526 |
| Molecular Formula | C7H8ClNO4S2 |
| Molecular Weight | 269.7257 |
| SMILES | CNS(C1=CC=C(S(Cl)(=O)=O)C=C1)(=O)=O |
| Synonyms | 4-(methylsulfamoyl)benzene-1-sulfonyl chloride,
4-[(methylamino)sulfonyl]benzenesulfonyl chloride,
247186-99-8,
AC1Q41D8,
SCHEMBL3073626,
CTK6I5782,
AKOS000165238,
ZINC100566929,
MCULE-7525388985,
NE28951,
4-(n-methylsulfamoyl)benzenesulfonyl chloride,
EN300-29913,
4-(methylsulfamoyl)benzene-1-sulfonyl chloride, AldrichCPR,
CID10730718,
4-(methylsulfamoyl)benzenesulfonyl Chloride,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.714g/mol |
| Monoisotopic Mass | 268.958g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number