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Maybridge3_004538,MWP 01083,ZINC00172598,SR-01000640081-1,4-Chloro-N-[

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摘 要:Maybridge3_004538,MWP 01083,ZINC00172598,SR-01000640081-1,4-Chloro-N-[2-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide, 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide,Canonical SMILES: CN1C=NC(=N1)C2=CC=CC=C2NS(=O)(=O
[Synonyms]
Maybridge3_004538
MWP 01083
ZINC00172598
SR-01000640081-1
4-Chloro-N-[2-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

[Structure]
Maybridge3_004538,MWP 01083,ZINC00172598,SR-01000640081-1,4-Chloro-N-[

[ Properties Computed from Structure]
Molecular Weight348.80732 [g/mol]
Molecular FormulaC15H13ClN4O2S
XLogP3.3
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count4
Tautomer Count2
Exact Mass348.044774
MonoIsotopic Mass348.044774
Topological Polar Surface Area76.9
Heavy Atom Count23
Formal Charge0
Complexity490
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: 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
Canonical SMILES: CN1C=NC(=N1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1/C15H13ClN4O2S/c1-20-10-17-15(18-20)13-4-2-3-5-14(13)19-23(21,
22)12-8-6-11(16)7-9-12/h2-10,19H,1H3

 
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