| CAS Number | 328028-15-5 |
| Catalog Number | AG019GPA |
| Chemical Name | 3-[(2-carboxyphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 2-[(3-carboxyphenyl)sulfonylamino]benzoic acid |
| InChI | InChI=1S/C14H11NO6S/c16-13(17)9-4-3-5-10(8-9)22(20,21)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19) |
| InChI Key | HTKMBGILVAXNDQ-UHFFFAOYSA-N |
| MDL Number | MFCD02704611 |
| Molecular Formula | C14H11NO6S |
| Molecular Weight | 321.3052 |
| SMILES | OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1C(=O)O |
| Synonyms | 3-[(2-carboxyphenyl)sulfamoyl]benzoic Acid,
328028-15-5,
CHEMBL3343823,
2-{[(3-carboxyphenyl)sulfonyl]aminobenzoic acid,
2-{[(3-carboxyphenyl)sulfonyl]amino}benzoic acid,
AC1LF3LD,
Cambridge id 6751511,
AC1Q73J5,
CTK8F3966,
ZINC189722,
BDBM50030316,
STK229867,
AKOS000114782,
MCULE-4812727952,
NE12180,
EN300-00702,
2-[(3-carboxyphenyl)sulfonylamino]benzoic acid,
SR-01000492018,
SR-01000492018-1,
CID746292,
|
| Complexity | 526 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.303g/mol |
| Monoisotopic Mass | 321.031g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number