N,N'-biphenyl-4,4'-diyldibenzenesulfonamide 52945-06-9

Details:

Identification and Related Records
【Name】
N,N'-biphenyl-4,4'-diyldibenzenesulfonamide
【CAS Registry number】
52945-06-9
【Synonyms】
MLS002639246
4'
,4'
'
'
-Bi[benzenesulfonanilide]
n,n'
-biphenyl-4,4'
-diyldibenzenesulfonamide
AQ-390/11215506
NSC28635
AC1L5MMB
AC1Q6VUO
Oprea1_769492
Oprea1_872518
MolPort-000-564-092
HMS3080A07
AR-1K1098
NSC-28635
ZINC01209328
SMR001548693
N-[4-[4-(benzenesulfonamido)phenyl]phenyl]benzenesulfonamide
N-{4'
-[(phenylsulfonyl)amino][1,1'
-biphenyl]-4-yl}benzenesulfonamide
【Molecular Formula】
C24H20N2O4S2 (Products with the same molecular formula)
【Molecular Weight】
464.5566
【Inchi】
InChI=1/C24H20N2O4S2/c27-31(28,23-7-3-1-4-8-23)25-21-15-11-19(12-16-21)20-13-17-22(18-14-20)26-32(29,30)24-9-5-2-6-10-24/h1-18,25-26H
【Canonical SMILES】
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4
【MOL File】
52945-06-9.mol
Chemical and Physical Properties
【Density】
1.395g/cm3
【Boiling Point】
658.2°C at 760 mmHg
【Refractive Index】
1.679
【Flash Point】
351.9°C
【Computed Properties】
Molecular Weight:464.5566 [g/mol]
Molecular Formula:C24H20N2O4S2
XLogP3:4.7
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:7
Exact Mass:464.086449
MonoIsotopic Mass:464.086449
Topological Polar Surface Area:109
Heavy Atom Count:32
Formal Charge:0
Complexity:707
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:4
Feature 3D Donor Count:2
Feature 3D Ring Count:4
Effective Rotor Count:7
Conformer Sampling RMSD:1
CID Conformer Count:54