| CAS Number | 1132787-68-8 |
| Catalog Number | AG01FN3D(AGN-PC-3H5NB8) |
| Chemical Name | ((3-chlorophenyl)sulfonyl)leucine |
| IUPAC Name | 2-[(3-chlorophenyl)sulfonylamino]-4-methylpentanoic acid |
| InChI | InChI=1S/C12H16ClNO4S/c1-8(2)6-11(12(15)16)14-19(17,18)10-5-3-4-9(13)7-10/h3-5,7-8,11,14H,6H2,1-2H3,(H,15,16) |
| InChI Key | KJQWUNLTCVDQQZ-UHFFFAOYSA-N |
| MDL Number | MFCD07433677 |
| Molecular Formula | C12H16ClNO4S |
| Molecular Weight | 305.7777 |
| SMILES | CC(C)CC(C(O)=O)NS(=O)(=O)C1C=C(Cl)C=CC=1 |
| Synonyms | MFCD07433677,
N-(3-Chlorophenylsulfonyl)-DL-leucine,
((3-chlorophenyl)sulfonyl)leucine,
AKOS000813613,
AKOS016049374,
MCULE-9198410264,
2-(3-chlorophenylsulfonamido)-4-methylpentanoic acid,
F9995-0619,
1132787-68-8,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.773g/mol |
| Monoisotopic Mass | 305.049g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number