| CAS Number | 848290-20-0 |
| Catalog Number | AG019OE7 |
| Chemical Name | 3-[(Carbamoylmethyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C9H10N2O5S/c10-8(12)5-11-17(15,16)7-3-1-2-6(4-7)9(13)14/h1-4,11H,5H2,(H2,10,12)(H,13,14) |
| InChI Key | OPIMWHAHDWKFAP-UHFFFAOYSA-N |
| MDL Number | MFCD07323902 |
| Molecular Formula | C9H10N2O5S |
| Molecular Weight | 258.2511 |
| SMILES | NC(CNS(C1=CC(C(O)=O)=CC=C1)(=O)=O)=O |
| Synonyms | 3-[(carbamoylmethyl)sulfamoyl]benzoic acid,
3-{[(2-amino-2-oxoethyl)amino]sulfonyl}benzoic acid,
848290-20-0,
EN300-13698,
AC1NLQUR,
AC1Q4ZPI,
SCHEMBL19667212,
CTK7D3336,
ZINC4206902,
AKOS000264137,
MCULE-3909082779,
NE52329,
NCGC00329711-01,
BC4132411,
3-[(2-amino-2-oxoethyl)sulfamoyl]benzoic acid,
AB01323979-02,
CID4962592,
3-(carbamoylmethylsulfamoyl)benzoic Acid,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.248g/mol |
| Monoisotopic Mass | 258.031g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 135A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number