| CAS Number | 325721-87-7 |
| Catalog Number | AG019GLB |
| Chemical Name | 3-[ethyl(phenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[ethyl(phenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C15H15NO4S/c1-2-16(13-8-4-3-5-9-13)21(19,20)14-10-6-7-12(11-14)15(17)18/h3-11H,2H2,1H3,(H,17,18) |
| InChI Key | NZRQFMPFEUTMTQ-UHFFFAOYSA-N |
| MDL Number | MFCD02711591 |
| Molecular Formula | C15H15NO4S |
| Molecular Weight | 305.3489 |
| SMILES | CCN(S(=O)(=O)c1cccc(c1)C(=O)O)c1ccccc1 |
| Synonyms | 3-[ethyl(phenyl)sulfamoyl]benzoic acid,
3-(Ethyl-phenyl-sulfamoyl)-benzoic acid,
325721-87-7,
SMR000060826,
AC1Q2YPA,
AC1M5I0B,
Oprea1_100672,
MLS000054475,
CHEMBL1729889,
CTK6E8691,
HMS1721H06,
HMS2497A13,
ZINC3208247,
AKOS000114982,
MCULE-6015995231,
NE39691,
EN300-00483,
CID2329208,
|
| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.348g/mol |
| Monoisotopic Mass | 305.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number