Home Halogens 3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]phenyl chloroacetate

3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]phenyl chloroacetate

CAS No.:
1449236-96-7
Catalog Number:
AG00ABON
Molecular Formula:
C15H12ClN3O3S
Molecular Weight:
349.7921
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
97%
1 week
United States
$640
- +
10mg
97%
1 week
United States
$890
- +
50mg
97%
1 week
United States
$2557
- +
100mg
97%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00ABON
Chemical Name:
3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]phenyl chloroacetate
CAS Number:
1449236-96-7
Molecular Formula:
C15H12ClN3O3S
Molecular Weight:
349.7921
MDL Number:
MFCD28963957
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
SMILES:
ClCC(=O)Nc1cccc(c1)NC1=NS(=O)(=O)c2c1cccc2
Properties
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  
Literature
Title Journal
Covalent and allosteric inhibitors of the ATPase VCP/p97 induce cancer cell death. Nature chemical biology 20130901
Properties