| CAS Number | 349625-76-9 |
| Catalog Number | AG01B1OX |
| Chemical Name | 4-(2-methanesulfonamidoethyl)benzene-1-sulfonamide |
| IUPAC Name | 4-[2-(methanesulfonamido)ethyl]benzenesulfonamide |
| InChI | InChI=1S/C9H14N2O4S2/c1-16(12,13)11-7-6-8-2-4-9(5-3-8)17(10,14)15/h2-5,11H,6-7H2,1H3,(H2,10,14,15) |
| InChI Key | HDXMVOQQADLPOL-UHFFFAOYSA-N |
| MDL Number | MFCD01097964 |
| Molecular Formula | C9H14N2O4S2 |
| Molecular Weight | 278.3485 |
| SMILES | CS(NCCC1=CC=C(S(N)(=O)=O)C=C1)(=O)=O |
| Synonyms | 4-(2-methanesulfonamidoethyl)benzene-1-sulfonamide,
4-{2-[(methylsulfonyl)amino]ethyl}benzenesulfonamide,
349625-76-9,
4-[2-[(Methylsulfonyl)amino]ethyl]benzenesulfonamide,
ZINC00457034,
AC1LHC6J,
Oprea1_795720,
ZINC457034,
STK127004,
AKOS001644018,
CCG-110174,
MCULE-9486485568,
NE53132,
ST50625107,
4-[2-(methanesulfonamido)ethyl]benzenesulfonamide,
CID885034,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.341g/mol |
| Monoisotopic Mass | 278.039g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 123A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number