| CAS Number | 321979-21-9 |
| Catalog Number | AG00C0EY(AGN-PC-0KEK6J) |
| Chemical Name | 4-(N-(3-(Trifluoromethyl)phenyl)sulfamoyl)benzoic acid |
| IUPAC Name | 4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H10F3NO4S/c15-14(16,17)10-2-1-3-11(8-10)18-23(21,22)12-6-4-9(5-7-12)13(19)20/h1-8,18H,(H,19,20) |
| InChI Key | NOPXPKAQTBKIIK-UHFFFAOYSA-N |
| MDL Number | MFCD00791557 |
| Molecular Formula | C14H10F3NO4S |
| Molecular Weight | 345.2937 |
| SMILES | O=C(O)C1=CC=C(S(=O)(NC2=CC=CC(C(F)(F)F)=C2)=O)C=C1 |
| Synonyms | 4-(3-Trifluoromethyl-phenylsulfamoyl)-benzoic acid,
321979-21-9,
4-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid,
4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic Acid,
4-(N-(3-(Trifluoromethyl)phenyl)sulfamoyl)benzoic acid,
4-(3-Trifluoromethyl-phenylsulfamoyl)benzoic acid,
AC1M4ALB,
AC1Q737G,
CTK7I8129,
ZINC3104089,
AKOS000114974,
MCULE-2657824467,
NE31189,
EN300-00610,
4-(3-trifluoromethylphenylsulfamoyl)benzoic acid,
J-513405,
Z45636120,
CID2304127,
|
| Complexity | 521 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.292g/mol |
| Monoisotopic Mass | 345.028g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number