CAS 26638-53-9|3-Chloro-6,11-dihydro-6-methyl-5,5,11-trioxodibenzo[c,f][1,2]thiazepine|6-chloro-10-methyl-9$l^{6}-thia-10-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9,9-trion...

General Information

Structure

Molecular Formula

C₁₄H₁₀ClNO₃S

Molecular Mass

307.7521

Exact Mass

307.00699187

Charge

InChI

InChI=1S/C14H10ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8H,1H3

InChIKey

RGOFXWXKWORKIP-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2c(c1)S(=O)(=O)N(C)c1c(C2=O)cccc1

Isomeric Smiles

S1(=O)(=O)N(c2c(C(=O)c3c1cc(cc3)Cl)cccc2)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.774739

LogD (pH = 7.4)

2.774739

Log P

2.774739

Molar Refractivity

77.1092

Polarizability

30.267843

Polar Surface Area

54.45

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3-Chloro-6,11-dihydro-6-methyl-5,5,11-trioxodibenzo[c,f][1,2]thiazepine3-Chloro-6-methyl-dibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-Dioxide3-Chloro-6,11-dihydro-6-methyl-5,5,11-trioxodibenzo[c,f][1,2]thiazepine

IUPAC name

6-chloro-10-methyl-9$l^{6}-thia-10-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9,9-trione 6-chloro-10-methyl-9λ⁶-thia-10-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9,9-trione

IUPAC Traditional name

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number

Registration numbers