Free Chemical Databases
-
[Synonyms]
NSC131880
38695-76-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 327.84946 [g/mol] Molecular Formula C14H14ClNO2S2 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 3 Exact Mass 327.015448 MonoIsotopic Mass 327.015448 Topological Polar Surface Area 46.5 Heavy Atom Count 20 Formal Charge 0 Complexity 450 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-[(3-chlorophenyl)-methyl-λ4-sulfanylidene]-4-
methylbenzenesulfonamide
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=S(C)C2=CC(=CC=C2)Cl
InChI: InChI=1/C14H14ClNO2S2/c1-11-6-8-14(9-7-11)20(17,
18)16-19(2)13-5-3-4-12(15)10-13/h3-10H,1-2H3
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