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4-{[(2-chloroanilino)carbonyl]amino}benzenesulfonamide
SpectraBase Compound ID 72qlk2sjA7C
InChI InChI=1S/C13H12ClN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKey ACVQFXORQCQIME-UHFFFAOYSA-N
Mol Weight 325.77 g/mol
Molecular Formula C13H12ClN3O3S
Exact Mass 325.02879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IcOKoMM8O7Y
Name 4-{[(2-chloroanilino)carbonyl]amino}benzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 325.028790129 u
Formula C13H12ClN3O3S
InChI InChI=1S/C13H12ClN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKey ACVQFXORQCQIME-UHFFFAOYSA-N
Molecular Weight 325.770 g/mol
SMILES N(C(=O)NC=1C=CC(S(=O)(=O)N)=CC1)C=1C(Cl)=CC=CC1