| CAS Number | 169945-27-1 |
| Catalog Number | AG019GL5(AGN-PC-0KEXD5) |
| Chemical Name | 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H13NO5S/c1-20-13-5-3-2-4-12(13)15-21(18,19)11-8-6-10(7-9-11)14(16)17/h2-9,15H,1H3,(H,16,17) |
| InChI Key | HZJZEEWZSYAYKT-UHFFFAOYSA-N |
| MDL Number | MFCD02714420 |
| Molecular Formula | C14H13NO5S |
| Molecular Weight | 307.3217 |
| SMILES | COC1=C(NS(C2=CC=C(C(O)=O)C=C2)(=O)=O)C=CC=C1 |
| Synonyms | 4-[(2-methoxyphenyl)sulfamoyl]benzoic Acid,
4-(2-Methoxy-phenylsulfamoyl)-benzoic acid,
AKOS000115038,
MCULE-4934825361,
NE12252,
4-[(2-Methoxyanilino)sulfonyl]benzoic acid,
EN300-00476,
Z45630940,
CID2333505,
169945-27-1,
AC1M5PD1,
Oprea1_579377,
AC1Q466I,
SCHEMBL8711266,
CTK7B1571,
HZJZEEWZSYAYKT-UHFFFAOYSA-N,
ZINC3215155,
|
| Complexity | 451 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.32g/mol |
| Monoisotopic Mass | 307.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number