| CAS Number | 327093-03-8 |
| Catalog Number | AG019GJD |
| Chemical Name | 5-Benzylsulfamoyl-2-hydroxy-benzoic acid |
| IUPAC Name | 5-(benzylsulfamoyl)-2-hydroxybenzoic acid |
| InChI | InChI=1S/C14H13NO5S/c16-13-7-6-11(8-12(13)14(17)18)21(19,20)15-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2,(H,17,18) |
| InChI Key | JIVAENNOJFLNHO-UHFFFAOYSA-N |
| MDL Number | MFCD02708236 |
| Molecular Formula | C14H13NO5S |
| Molecular Weight | 307.3217 |
| SMILES | OC(C1=C(O)C=CC(S(NCC2=CC=CC=C2)(=O)=O)=C1)=O |
| Synonyms | 5-(benzylsulfamoyl)-2-hydroxybenzoic acid,
327093-03-8,
5-Benzylsulfamoyl-2-hydroxy-benzoic acid,
AC1MVL4W,
AC1Q72HZ,
Oprea1_046140,
Oprea1_507806,
CTK7I6878,
ZINC3884745,
AKOS000114699,
MCULE-7326228660,
NE39690,
EN300-00349,
SR-01000029292,
SR-01000029292-1,
Z55437184,
CID3684974,
5-(benzylsulfamoyl)-2-hydroxy-benzoic Acid,
|
| Complexity | 453 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.32g/mol |
| Monoisotopic Mass | 307.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number