| CAS Number | 329269-49-0 |
| Catalog Number | AG00C6SV |
| Chemical Name | 4-FLUORO-3-(N-(2-METHOXYPHENYL)SULFAMOYL)BENZOIC ACID |
| IUPAC Name | 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H12FNO5S/c1-21-12-5-3-2-4-11(12)16-22(19,20)13-8-9(14(17)18)6-7-10(13)15/h2-8,16H,1H3,(H,17,18) |
| InChI Key | TYZXWGKLDYCGBM-UHFFFAOYSA-N |
| MDL Number | MFCD02709868 |
| Molecular Formula | C14H12FNO5S |
| Molecular Weight | 325.3122 |
| SMILES | O=C(O)C1=CC=C(F)C(S(=O)(NC2=CC=CC=C2OC)=O)=C1 |
| Synonyms | 4-Fluoro-3-(2-methoxy-phenylsulfamoyl)-benzoic acid,
4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzoic Acid,
329269-49-0,
AC1LHQJ9,
AC1Q4ELY,
Oprea1_726005,
CTK7B1556,
ZINC467095,
AKOS000115013,
MCULE-9328637455,
NE22888,
NCGC00093402-01,
EN300-00467,
4-fluoro-3-(2-methoxyphenylsulfamoyl)benzoic acid,
SR-01000263600,
J-515355,
SR-01000263600-1,
Z56795232,
4-Fluoro-3-(N-(2-methoxyphenyl)sulfamoyl)benzoic acid,
CID891515,
|
| Complexity | 492 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.31g/mol |
| Monoisotopic Mass | 325.042g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number