chempirical

Oxamflatin

C17H14N2O4SCAS 151720-43-3342.37 g/mol

Open in Covalent MOL file
SOOHNONHHO
AlkeneAlkyneAmideSulfonamide

Properties

Molecular formula
C17H14N2O4S
Molar mass
342.37 g/mol
Exact mass
342.0674 Da
logP
1.90Crippen estimate
Polar surface area
95.5 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

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
151720-43-3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#C/C=C/C(=O)NO
InChIKey
QRPSQQUYPMFERG-LFYBBSHMSA-N
InChI
InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Oxamflatin

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

N-Phenylbenzenesulfonamide1678-25-743 % similar N-Hydroxy-3-(3-phenylsulfamoylphenyl)acrylamide414864-00-939 % similar 3-Amino-N-phenylbenzenesulfonamide80-21-738 % similar N-(4-Hydroxyphenyl)benzenesulfonamide5471-90-938 % similar Piloty's acid599-71-335 % similar N-Methylbenzenesulfonamide5183-78-834 % similar N-(Phenylsulfonyl)benzenesulfonamide2618-96-431 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook