| CAS Number | 147410-79-5 |
| Catalog Number | AG019GIL(AGN-PC-0JW46H) |
| Chemical Name | 3-[(2-Methoxyphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[(2-methoxyphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H13NO5S/c1-20-13-8-3-2-7-12(13)15-21(18,19)11-6-4-5-10(9-11)14(16)17/h2-9,15H,1H3,(H,16,17) |
| InChI Key | OLDHEBKKRMIQFO-UHFFFAOYSA-N |
| MDL Number | MFCD00658189 |
| Molecular Formula | C14H13NO5S |
| Molecular Weight | 307.3217 |
| SMILES | COC1=C(NS(C2=CC(C(O)=O)=CC=C2)(=O)=O)C=CC=C1 |
| Synonyms | 3-[(2-methoxyphenyl)sulfamoyl]benzoic acid,
3-(2-Methoxy-phenylsulfamoyl)-benzoic acid,
147410-79-5,
3-(N-(2-methoxyphenyl)sulfamoyl)benzoic acid,
BAS 00315654,
AC1LG7QW,
AC1Q4ELU,
Oprea1_062218,
Oprea1_680516,
CTK7B1580,
ZINC243061,
AKOS000114676,
MCULE-9307453238,
NE25543,
3-[(2-methoxyanilino)sulfonyl]benzoic acid,
EU-0034246,
EN300-00297,
AG-690/12764129,
Z45630839,
F1113-0251,
CID766539,
|
| Complexity | 459 |
| 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