Carbonic anhydrase ix/xii inhibitor ii(U-104)

C₁₃H₁₂FN₃O₃SCAS 178606-66-1309.32 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide Urea

Properties

Molecular formula: C₁₃H₁₂FN₃O₃S
Molar mass: 309.32 g/mol
Exact mass: 309.0583 Da
logP: 2.12Crippen estimate
Polar surface area: 101.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Identifiers

CAS number

178606-66-1

SMILES

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F

InChIKey

YJQZNWPYLCNRLP-UHFFFAOYSA-N

InChI

InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)

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Work with Carbonic anhydrase ix/xii inhibitor ii(U-104)

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

4-Fluorobenzenesulfonamide402-46-066 % similar 4-Hydrazinobenzenesulfonamide4392-54-550 % similar 4-Hydrazinylbenzenesulfonamide hydrochloride17852-52-746 % similar 4-Hydrazinobenzenesulfonamide hydrochloride27918-19-046 % similar N-(4-Fluorophenyl)thiourea459-05-244 % similar 4-Carboxybenzenesulfonamide138-41-041 % similar 4-Acetylbenzenesulfonamide1565-17-941 % similar Sulfanilamide63-74-141 % similar

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

Elsewhere

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