| CAS Number | 1016675-55-0 |
| Catalog Number | AG01AA81 |
| Chemical Name | 5-acetamido-2-methanesulfonamidobenzoic acid |
| IUPAC Name | 5-acetamido-2-(methanesulfonamido)benzoic acid |
| InChI | InChI=1S/C10H12N2O5S/c1-6(13)11-7-3-4-9(12-18(2,16)17)8(5-7)10(14)15/h3-5,12H,1-2H3,(H,11,13)(H,14,15) |
| InChI Key | VQEJIWHHKQFWPB-UHFFFAOYSA-N |
| MDL Number | MFCD09812341 |
| Molecular Formula | C10H12N2O5S |
| Molecular Weight | 272.2777 |
| SMILES | CC(NC1=CC(C(O)=O)=C(NS(C)(=O)=O)C=C1)=O |
| Synonyms | 5-acetamido-2-methanesulfonamidobenzoic acid,
1016675-55-0,
AC1Q1KMZ,
CTK6A0728,
ZINC19277601,
AKOS000155628,
MCULE-6987333118,
NE14501,
EN300-67405,
Z197917098,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.275g/mol |
| Monoisotopic Mass | 272.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number