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STK045746,ZINC00247251, N-(2,5-dichlorophenyl)-2,4,6-trimethylbenzenes

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摘 要:STK045746,ZINC00247251, N-(2,5-dichlorophenyl)-2,4,6-trimethylbenzenesulfonamide,Canonical SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)C,InChI: InChI=1/C15H15Cl2NO2S/c1-9-6-10(2)15(11(3)7-9)21(19,,20)18-14-8-12(16)4-5-13(14)17/h4-8,18H,1-
[Synonyms]
STK045746
ZINC00247251

[Structure]
STK045746,ZINC00247251, N-(2,5-dichlorophenyl)-2,4,6-trimethylbenzenes

[ Properties Computed from Structure]
Molecular Weight344.2561 [g/mol]
Molecular FormulaC15H15Cl2NO2S
XLogP4.8
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count3
Exact Mass343.020055
MonoIsotopic Mass343.020055
Topological Polar Surface Area46.2
Heavy Atom Count21
Formal Charge0
Complexity439
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-(2,5-dichlorophenyl)-2,4,6-trimethylbenzenesulfonamide
Canonical SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)C
InChI: InChI=1/C15H15Cl2NO2S/c1-9-6-10(2)15(11(3)7-9)21(19,
20)18-14-8-12(16)4-5-13(14)17/h4-8,18H,1-3H3

 
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