| CAS Number | 726155-15-3 |
| Catalog Number | AG019HWD |
| Chemical Name | 4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoic acid |
| IUPAC Name | 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid |
| InChI | InChI=1S/C14H11N3O5S/c18-13(19)8-1-3-9(4-2-8)17-23(21,22)10-5-6-11-12(7-10)16-14(20)15-11/h1-7,17H,(H,18,19)(H2,15,16,20) |
| InChI Key | MXYWYUIGPWWUNX-UHFFFAOYSA-N |
| MDL Number | MFCD16684453 |
| Molecular Formula | C14H11N3O5S |
| Molecular Weight | 333.3192 |
| SMILES | OC(C1=CC=C(NS(C2=CC3=C(NC(N3)=O)C=C2)(=O)=O)C=C1)=O |
| Synonyms | 4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoic acid,
4-(2-Oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonylamino)-benzoic acid,
726155-15-3,
AC1M5SF7,
AC1Q73EP,
SCHEMBL18173883,
CTK7H0197,
ZINC3268222,
AKOS016402328,
MCULE-9675553223,
NE12668,
EN300-04899,
Z56115875,
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid,
CID2384571,
4-[(2-oxo-1,3-dihydrobenzoimidazol-5-yl)sulfonylamino]benzoic Acid,
|
| Complexity | 580 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.318g/mol |
| Monoisotopic Mass | 333.042g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number