3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide

C₁₇H₁₅N₃O₆S₂CAS 199666-03-0421.44 g/mol

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Ether Nitro Sulfonamide

Properties

Molecular formula: C₁₇H₁₅N₃O₆S₂
Molar mass: 421.44 g/mol
Exact mass: 421.0402 Da
Melting point: 185 °C
logP: 3.54Crippen estimate
Polar surface area: 120.7 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 7

Identifiers

CAS number

199666-03-0

SMILES

COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC

InChIKey

NDPBMCKQJOZAQX-UHFFFAOYSA-N

InChI

InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)

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Names and synonyms

3 names

Benzenesulfonamide, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]-
Ro 61-8048
3,4-Dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

Work with 3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide

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

1,2-Dimethoxy-4-nitrobenzene709-09-143 % similar 2,4-Dinitroanisole119-27-739 % similar 2-Methoxy-5-nitroaniline hydrochloride67827-72-939 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-939 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-038 % similar 2-Iodo-1-methoxy-4-nitrobenzene5399-03-138 % similar 3-Nitroanisole555-03-338 % similar 2-Methoxy-1-methyl-4-nitrobenzene13120-77-937 % similar

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

Elsewhere

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