| CAS Number | 1025058-88-1 |
| Catalog Number | AG008U79 |
| Chemical Name | 2-(4-Chlorobenzenesulfonamido)-4-methanesulfonylbutanoic acid |
| IUPAC Name | 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfonylbutanoic acid |
| InChI | InChI=1S/C11H14ClNO6S2/c1-20(16,17)7-6-10(11(14)15)13-21(18,19)9-4-2-8(12)3-5-9/h2-5,10,13H,6-7H2,1H3,(H,14,15) |
| InChI Key | XXEGZIFBFGHLFW-UHFFFAOYSA-N |
| MDL Number | MFCD08691091 |
| Molecular Formula | C11H14ClNO6S2 |
| Molecular Weight | 355.8150 |
| SMILES | O=C(O)C(NS(=O)(C1=CC=C(Cl)C=C1)=O)CCS(=O)(C)=O |
| Synonyms | 1025058-88-1,
2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfonyl)butanoic acid,
2-(4-chlorobenzenesulfonamido)-4-methanesulfonylbutanoic acid,
AC1Q4GMJ,
CTK7I5035,
AKOS009075890,
MCULE-6423386921,
NE28444,
EN300-23076,
J-507671,
Z227830174,
2-(4-Chlorophenylsulfonamido)-4-(methylsulfonyl)butanoic acid,
1-Chloro-4-[chloro(4-chlorophenyl)methyl]benzene,
|
| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.804g/mol |
| Monoisotopic Mass | 354.995g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number