2-[(3,4-dichlorophenyl)amino]pyridine-3-sulfonamide(CAS No. 55842-10-9)

Details:

【Name】
2-[(3,4-dichlorophenyl)amino]pyridine-3-sulfonamide
【Iupac name】
2-(3,4-dichloroanilino)pyridine-3-sulfonamide
【CAS Registry number】
55842-10-9
【Synonyms】
2-(3,4-dichloroanilino)-3-pyridinesulfonamide
AJ-333/25006242
NSC295457
Oprea1_792471
MLS000540138
AC1L6X64
MolPort-002-817-738
HMS2311I07
ZINC00481389
NSC-295457
SMR000162114
2-(3,4-dichloroanilino)pyridine-3-sulfonamide
55842-10-9
【Molecular Formula】
C11H9Cl2N3O2S (Products with the same molecular formula)
【Molecular Weight】
318.1791
【Inchi】
InChI=1/C11H9Cl2N3O2S/c12-8-4-3-7(6-9(8)13)16-11-10(19(14,17)18)2-1-5-15-11/h1-6H,(H,15,16)(H2,14,17,18)
【Canonical SMILES】
C1=CC(=C(N=C1)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N
Chemical and Physical Properties
【Density】
1.578g/cm3
【Boiling Point】
489.8°Cat760mmHg
【Refractive Index】
1.666
【Flash Point】
250°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:20