| CAS Number | 1449236-96-7 |
| Catalog Number | AG00ABON |
| Chemical Name | 2-Chloro-N-(3-((1,1-dioxidobenzo[d]isothiazol-3-yl)amino)phenyl)acetamide |
| IUPAC Name | 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide |
| InChI | InChI=1S/C15H12ClN3O3S/c16-9-14(20)17-10-4-3-5-11(8-10)18-15-12-6-1-2-7-13(12)23(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19) |
| InChI Key | JWMFLBAPPIWNGG-UHFFFAOYSA-N |
| MDL Number | MFCD28963957 |
| Molecular Formula | C15H12ClN3O3S |
| Molecular Weight | 349.7921 |
| SMILES | ClCC(=O)NC1=CC(=CC=C1)NC1=NS(C2=C1C=CC=C2)(=O)=O |
| Synonyms | NMS-859,
1449236-96-7,
2-chloro-N-(3-((1,1-dioxidobenzo[d]isothiazol-3-yl)amino)phenyl)acetamide,
2-Chloro-N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-phenyl}acetamide,
NMS859,
CHEMBL3220939,
BCP19908,
AKOS030526549,
ZINC169324353,
CS-3929,
NCGC00384179-01,
HY-15714,
N-[3-[(1,2-Benzoisothiazole 1,1-dioxide)-3-ylamino]phenyl]-2-chloroacetamide,
JWMFLBAPPIWNGG-UHFFFAOYSA-N,
|
| Complexity | 587 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.789g/mol |
| Monoisotopic Mass | 349.029g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Lot Number