ChemSpider 2D Image | 2-Chloro-N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl}acetamide | C15H12ClN3O3S

2-Chloro-N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl}acetamide

  • Molecular FormulaC15H12ClN3O3S
  • Average mass349.792 Da
  • Monoisotopic mass349.028778 Da
  • ChemSpider ID34224308

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Chlor-N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl}acetamid [German] [ACD/IUPAC Name]
2-Chloro-N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl}acetamide [ACD/IUPAC Name]
2-Chloro-N-{3-[(1,1-dioxydo-1,2-benzothiazol-3-yl)amino]phényl}acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-chloro-N-[3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl]- [ACD/Index Name]
1333210-07-3 [RN]
1449236-96-7 [RN]
2-?chloro-?N-?[3-?[(1,?1-?dioxido-?1,?2-?benzisothiazol-?3-?yl)?amino]?phenyl]?-Acetamide
2-Chloro-N-(3-((1,1-dioxidobenzo[d]isothiazol-3-yl)amino)phenyl)acetamide
2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide
2-Chloro-N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-phenyl}acetamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15714
      Cell Cycle/DNA Damage; MedChem Express HY-15714
      NMS-859 is a potent and specific small molecule covalent inhibitor of the ATPase VCP/p97 (IC50 ~0.37 ?M), identified by high-throughput screening.; IC50 value: 0.37 uM [1]; Target: VCP/p97 inhibitor; NMS-859 is very selective (IC50 >10 ?M) against all of the AAA ATPases, HSP90 or the 53 kinases tested. MedChem Express HY-15714
      p97 MedChem Express HY-15714

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 88.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.51
ACD/KOC (pH 5.5): 247.62
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.51
ACD/KOC (pH 7.4): 247.62
Polar Surface Area: 96 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 62.0±7.0 dyne/cm
Molar Volume: 229.6±7.0 cm3

Click to predict properties on the Chemicalize site


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