| CAS Number | 406928-28-7 |
| Catalog Number | AG019GLC |
| Chemical Name | 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid |
| IUPAC Name | 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid |
| InChI | InChI=1S/C15H15NO5S/c1-10-3-8-13(9-14(10)15(17)18)22(19,20)16-11-4-6-12(21-2)7-5-11/h3-9,16H,1-2H3,(H,17,18) |
| InChI Key | ITRVSHJNWDCFIU-UHFFFAOYSA-N |
| MDL Number | MFCD02712079 |
| Molecular Formula | C15H15NO5S |
| Molecular Weight | 321.3483 |
| SMILES | COC1=CC=C(NS(C2=CC(C(O)=O)=C(C)C=C2)(=O)=O)C=C1 |
| Synonyms | 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid,
406928-28-7,
5-(4-Methoxy-phenylsulfamoyl)-2-methyl-benzoic acid,
5-[[(4-methoxyphenyl)amino]sulfonyl]-2-methylBenzoic acid,
SMR000060844,
AC1LGT2C,
AC1Q4DG7,
Oprea1_567386,
MLS000054492,
CHEMBL1485120,
CTK7A4949,
HMS2497C05,
ZINC386175,
AKOS000114990,
MCULE-3901911682,
NE35455,
DA-06069,
FT-0727934,
EN300-00484,
Z45633966,
CID851353,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.347g/mol |
| Monoisotopic Mass | 321.067g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number