3,11-Dichloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepine 5,5-dioxide

C₁₄H₁₁Cl₂NO₂SCAS 26638-66-4328.21 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfonamide

Properties

Molecular formula: C₁₄H₁₁Cl₂NO₂S
Molar mass: 328.21 g/mol
Exact mass: 326.9888 Da
logP: 3.81Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

26638-66-4

SMILES

CN1c2ccccc2C(Cl)c2ccc(Cl)cc2S1(=O)=O

InChIKey

FHICZIHQHGRZLE-UHFFFAOYSA-N

InChI

InChI=1S/C14H11Cl2NO2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,1H3

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Names and synonyms

4 names

Dibenzo[C,F][1,2]thiazepine, 3,11-dichloro-6,11-dihydro-6-methyl-, 5,5-dioxide
5,8-Dichloro-11-methyldibenzo[c,f]thiazepine 10,10-dioxide
3,11-Dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepine
3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide

Work with 3,11-Dichloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepine 5,5-dioxide

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

Tianeptine66981-73-552 % similar Tianeptine72797-41-252 % similar Tianeptine sodium30123-17-250 % similar Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, ethyl ester66981-77-950 % similar Asenapine65576-45-632 % similar Clomipramine303-49-131 % similar IDRA 2122503-72-631 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-331 % similar

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

Elsewhere

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