chempirical

Pik-93

C14H16ClN3O4S2CAS 593960-11-3389.87 g/mol

Open in Covalent MOL file
SNNHOClSOONHOH
AlcoholAmideAryl halideSulfonamide

Properties

Molecular formula
C14H16ClN3O4S2
Molar mass
389.87 g/mol
Exact mass
389.0271 Da
logP
2.00Crippen estimate
Polar surface area
108.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
593960-11-3
SMILES
CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO
InChIKey
JFVNFXCESCXMBC-UHFFFAOYSA-N
InChI
InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)

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Work with Pik-93

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Amino-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide25797-78-834 % similar 2-Acetamido-5-chlorothiazole20256-39-731 % similar Solvent black 78005-02-531 % similar 4-Acetamido-3-chlorobenzenesulfonyl chloride16761-18-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook