| CAS Number | 78234-18-1 |
| Catalog Number | AG01AI3H(AGN-PC-000393) |
| Chemical Name | N-[4-(3-chloropropanesulfonyl)phenyl]acetamide |
| IUPAC Name | N-[4-(3-chloropropylsulfonyl)phenyl]acetamide |
| InChI | InChI=1S/C11H14ClNO3S/c1-9(14)13-10-3-5-11(6-4-10)17(15,16)8-2-7-12/h3-6H,2,7-8H2,1H3,(H,13,14) |
| InChI Key | VRKKNDAXAMMISK-UHFFFAOYSA-N |
| MDL Number | MFCD09727864 |
| Molecular Formula | C11H14ClNO3S |
| Molecular Weight | 275.7518 |
| SMILES | CC(NC1=CC=C(S(CCCCl)(=O)=O)C=C1)=O |
| Synonyms | N-[4-(3-chloropropanesulfonyl)phenyl]acetamide,
78234-18-1,
SCHEMBL11393417,
CTK6H8077,
VRKKNDAXAMMISK-UHFFFAOYSA-N,
ZINC19788734,
AKOS000137009,
NE24696,
3-(p-acetamidophenylsulfonyl)propyl chloride,
EN300-76655,
N-{4-[(3-chloropropane)sulfonyl]phenyl}acetamide,
N-{4-[(3-CHLOROPROPYL)SULFONYL]PHENYL}ACETAMIDE,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.747g/mol |
| Monoisotopic Mass | 275.038g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number