| CAS Number | 779-71-5 |
| Catalog Number | AG005E98(AGN-PC-0L5W1D) |
| Chemical Name | 2-Chloro-5-trifluoromethyl-benzenesulfonamide |
| IUPAC Name | 2-chloro-5-(trifluoromethyl)benzenesulfonamide |
| InChI | InChI=1S/C7H5ClF3NO2S/c8-5-2-1-4(7(9,10)11)3-6(5)15(12,13)14/h1-3H,(H2,12,13,14) |
| InChI Key | VWGUZQVBGYSBEM-UHFFFAOYSA-N |
| MDL Number | MFCD00099222 |
| Molecular Formula | C7H5ClF3NO2S |
| Molecular Weight | 259.6333 |
| SMILES | NS(C1=C(Cl)C=CC(C(F)(F)F)=C1)(=O)=O |
| Synonyms | 779-71-5,
2-Chloro-5-trifluoromethyl-benzenesulfonamide,
2-chloro-5-(trifluoromethyl)benzenesulfonamide,
2-Chloro-5-trifluoromethyl-benzene,
2-chloro-5-(trifluoromethyl)benzene-1-sulfonamide,
AC1N4O1G,
CHEMBL144456,
SCHEMBL2725140,
CTK5E5252,
DTXSID30399696,
ZINC6862865,
SBB102223,
AKOS000140138,
FS-4975,
MCULE-5916320977,
NE52704,
AC-18627,
FT-0706869,
Sulfonamide,
CID4131856,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.627g/mol |
| Monoisotopic Mass | 258.968g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number