| CAS Number | 851116-24-0 |
| Catalog Number | AG019OAV |
| Chemical Name | 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C11H10N2O5S/c1-7-5-10(12-18-7)13-19(16,17)9-4-2-3-8(6-9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15) |
| InChI Key | XETUPPRSTFARBA-UHFFFAOYSA-N |
| MDL Number | MFCD06655812 |
| Molecular Formula | C11H10N2O5S |
| Molecular Weight | 282.2725 |
| SMILES | CC1ON=C(NS(C2=CC(C(O)=O)=CC=C2)(=O)=O)C=1 |
| Synonyms | 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic Acid,
851116-24-0,
3-{[(5-methylisoxazol-3-yl)amino]sulfonyl}benzoic acid,
AC1NLQK3,
AC1Q2J5H,
CTK6C5677,
ZINC3888417,
AKOS000118467,
MCULE-9096983698,
NE13386,
EN300-13353,
SR-01000051659,
SR-01000051659-1,
Z55901165,
CID4962386,
Benzoic acid, 3-[[(5-methyl-3-isoxazolyl)amino]sulfonyl],
|
| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.27g/mol |
| Monoisotopic Mass | 282.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number