| CAS Number | 1009703-91-6 |
| Catalog Number | AG008TU2 |
| Chemical Name | 2-{[4-(dimethylsulfamoyl)phenyl]formamido}propanoic acid |
| IUPAC Name | 2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoic acid |
| InChI | InChI=1S/C12H16N2O5S/c1-8(12(16)17)13-11(15)9-4-6-10(7-5-9)20(18,19)14(2)3/h4-8H,1-3H3,(H,13,15)(H,16,17) |
| InChI Key | VSEQOHQIPUQVGA-UHFFFAOYSA-N |
| MDL Number | MFCD08444433 |
| Molecular Formula | C12H16N2O5S |
| Molecular Weight | 300.3308 |
| SMILES | CC(NC(C1=CC=C(S(=O)(N(C)C)=O)C=C1)=O)C(O)=O |
| Synonyms | 1009703-91-6,
2-([4-[(Dimethylamino)sulfonyl]benzoyl]amino)propanoic acid,
2-({4-[(dimethylamino)sulfonyl]benzoyl}amino)propanoic acid,
2-(4-(N,N-Dimethylsulfamoyl)benzamido)propanoic acid,
2-{[4-(dimethylsulfamoyl)phenyl]formamido}propanoic acid,
AC1Q2BH7,
CTK6A3366,
AKOS000118038,
AKOS016605930,
MCULE-1177635407,
NE13871,
EN300-25610,
Z85890505,
2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoic acid,
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.329g/mol |
| Monoisotopic Mass | 300.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number