| CAS Number | 147410-76-2 |
| Catalog Number | AG019GLF(AGN-PC-0KEVBE) |
| Chemical Name | 3-[(3-Methylphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[(3-methylphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H13NO4S/c1-10-4-2-6-12(8-10)15-20(18,19)13-7-3-5-11(9-13)14(16)17/h2-9,15H,1H3,(H,16,17) |
| InChI Key | SBCGIAAHIVKYKK-UHFFFAOYSA-N |
| MDL Number | MFCD01197551 |
| Molecular Formula | C14H13NO4S |
| Molecular Weight | 291.3223 |
| SMILES | CC1=CC(NS(C2=CC(C(O)=O)=CC=C2)(=O)=O)=CC=C1 |
| Synonyms | 3-[(3-methylphenyl)sulfamoyl]benzoic Acid,
3-m-Tolylsulfamoyl-benzoic acid,
147410-76-2,
AC1M5HTZ,
AC1Q2J5G,
Oprea1_218838,
Oprea1_662230,
CTK6C1371,
ZINC3208029,
AKOS000114999,
MCULE-3931755600,
NE39911,
EN300-00487,
3-{[(3-methylphenyl)amino]sulfonyl}benzoic acid,
CID2329104,
|
| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.321g/mol |
| Monoisotopic Mass | 291.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number