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ZINC03214849,T0505-5136, N-(3,5-dichlorophenyl)-2-[(2,3,5,,6-tetrameth

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摘 要:ZINC03214849,T0505-5136, N-(3,5-dichlorophenyl)-2-[(2,3,5,,6-tetramethylphenyl)sulfonylamino]benzamide,Canonical SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC(=C3)Cl)Cl)C)C,InChI: InChI=1/C23H22Cl2N2O3S/c1-13-9-14(2)16(4)22(15(13)3)31
[Synonyms]
ZINC03214849
T0505-5136

[Structure]
ZINC03214849,T0505-5136, N-(3,5-dichlorophenyl)-2-[(2,3,5,,6-tetrameth

[ Properties Computed from Structure]
Molecular Weight477.40338 [g/mol]
Molecular FormulaC23H22Cl2N2O3S
XLogP6.7
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count5
Exact Mass476.072819
MonoIsotopic Mass476.072819
Topological Polar Surface Area75.3
Heavy Atom Count31
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(3,5-dichlorophenyl)-2-[(2,3,5,
6-tetramethylphenyl)sulfonylamino]benzamide
Canonical SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC(=C3)Cl)Cl)C)C
InChI: InChI=1/C23H22Cl2N2O3S/c1-13-9-14(2)16(4)22(15(13)3)31(29,
30)27-21-8-6-5-7-20(21)23(28)26-19-11-17(24)10-18(25)12-19/h5-12,27H,
1-4H3,(H,26,28)/f/h26H

 
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