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ZINC03425860,T5339222, N-(4-chlorophenyl)-2-[methyl-(3-methylphenyl)su

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摘 要:ZINC03425860,T5339222, N-(4-chlorophenyl)-2-[methyl-(3-methylphenyl)sulfonylamino]acetamide,Canonical SMILES: CC1=CC(=CC=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)Cl,InChI: InChI=1/C16H17ClN2O3S/c1-12-4-3-5-15(10-12)23(21,,22)19(2)11-16(20)18-14-8-6-13(17)
[Synonyms]
ZINC03425860
T5339222

[Structure]
ZINC03425860,T5339222, N-(4-chlorophenyl)-2-[methyl-(3-methylphenyl)su

[ Properties Computed from Structure]
Molecular Weight352.83578 [g/mol]
Molecular FormulaC16H17ClN2O3S
XLogP2.9
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count2
Exact Mass352.064841
MonoIsotopic Mass352.064841
Topological Polar Surface Area66.5
Heavy Atom Count23
Formal Charge0
Complexity498
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-(4-chlorophenyl)-2-[methyl-(3-methylphenyl)sulfonylamino]acetamide
Canonical SMILES: CC1=CC(=CC=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)Cl
InChI: InChI=1/C16H17ClN2O3S/c1-12-4-3-5-15(10-12)23(21,
22)19(2)11-16(20)18-14-8-6-13(17)7-9-14/h3-10H,11H2,1-2H3,(H,18,
20)/f/h18H

 
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