| CAS Number | 497141-51-2 |
| Catalog Number | AG019OK9 |
| Chemical Name | 2-benzenesulfonamido-4-methanesulfonylbutanoic acid |
| IUPAC Name | 2-(benzenesulfonamido)-4-methylsulfonylbutanoic acid |
| InChI | InChI=1S/C11H15NO6S2/c1-19(15,16)8-7-10(11(13)14)12-20(17,18)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,13,14) |
| InChI Key | FAHUCQPCECQZOD-UHFFFAOYSA-N |
| MDL Number | MFCD03034476 |
| Molecular Formula | C11H15NO6S2 |
| Molecular Weight | 321.3699 |
| SMILES | CS(CCC(C(O)=O)NS(C1=CC=CC=C1)(=O)=O)(=O)=O |
| Synonyms | 2-benzenesulfonamido-4-methanesulfonylbutanoic acid,
4-(methylsulfonyl)-2-[(phenylsulfonyl)amino]butanoic acid,
497141-51-2,
AC1NLVN4,
AC1Q4GMK,
CTK7I5060,
A2745/0116635,
STK523851,
AKOS001108083,
AKOS016890274,
MCULE-2869643926,
NE37648,
ST032591,
EN300-14262,
SR-01000537444,
2-(benzenesulfonamido)-4-methylsulfonylbutanoic acid,
SR-01000537444-1,
CID4991130,
|
| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.362g/mol |
| Monoisotopic Mass | 321.034g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number