| CAS Number | 930395-72-5 |
| Catalog Number | AG019KJH |
| Chemical Name | 3-(cyclopropylsulfamoyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-(cyclopropylsulfamoyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C9H10ClNO4S2/c10-16(12,13)8-2-1-3-9(6-8)17(14,15)11-7-4-5-7/h1-3,6-7,11H,4-5H2 |
| InChI Key | AVRRYBPYXPLARI-UHFFFAOYSA-N |
| MDL Number | MFCD09376379 |
| Molecular Formula | C9H10ClNO4S2 |
| Molecular Weight | 295.7630 |
| SMILES | ClS(C1=CC(S(NC2CC2)(=O)=O)=CC=C1)(=O)=O |
| Synonyms | 3-(cyclopropylsulfamoyl)benzene-1-sulfonyl chloride,
3-[(cyclopropylamino)sulfonyl]benzenesulfonyl chloride,
930395-72-5,
AC1Q3VK9,
CTK7I2019,
AKOS000118104,
ZINC100493855,
MCULE-2952988304,
NE37449,
EN300-27178,
|
| Complexity | 472 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.752g/mol |
| Monoisotopic Mass | 294.974g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number