3-Pyridinesulfonami...

3-Pyridinesulfonamide,2-[(2,3-dichlorophenyl)amino]-(CAS No. 55841-89-9)

3-Pyridinesulfonamide,2-[(2,3-dichlorophenyl)amino]-(CAS No. 55841-89-9)

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3-Pyridinesulfonamide,2-[(2,3-dichlorophenyl)amino]- 55841-89-9 98%

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  • Appearance:Solid
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Details:

【Name】
3-Pyridinesulfonamide,2-[(2,3-dichlorophenyl)amino]-
【Iupac name】
2-(2,3-dichloroanilino)pyridine-3-sulfonamide
【CAS Registry number】
55841-89-9
【Synonyms】
NSC 295456
【Molecular Formula】
C11H9 Cl2 N3 O2 S (Products with the same molecular formula)
【Molecular Weight】
318.1791
【Inchi】
InChI=1/C11H9Cl2N3O2S/c12-7-3-1-4-8(10(7)13)16-11-9(19(14,17)18)5-2-6-15-11/h1-6H,(H,15,16)(H2,14,17,18)
【Canonical SMILES】
C1=CC(=C(C(=C1)Cl)Cl)NC2=C(C=CC=N2)S(=O)(=O)N
Chemical and Physical Properties
【Density】
1.578g/cm3
【Boiling Point】
469.6°C at 760 mmHg
【Refractive Index】
1.666
【Flash Point】
237.8°C
【Computed Properties】
Molecular Weight:318.17906 [g/mol]
Molecular Formula:C11H9Cl2N3O2S
XLogP3-AA:3.1
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:316.979253
MonoIsotopic Mass:316.979253
Topological Polar Surface Area:93.5
Heavy Atom Count:19
Formal Charge:0
Complexity:401
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:18

 

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