2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol

C14H11Cl2NO3S — CID 142431728

IUPAC2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
SMILESCN1c2ccccc2C(O)c2cc(Cl)c(Cl)cc2S1(=O)=O
InChIInChI=1S/C14H11Cl2NO3S/c1-17-12-5-3-2-4-8(12)14(18)9-6-10(15)11(16)7-13(9)21(17,19)20/h2-7,14,18H,1H3
InChIKeyBORCTPLMVRZLLV-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.21
Rot. Bonds

About 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol

2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol (PubChem CID 142431728) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol.

Molecular Properties

Compound Name2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
PubChem CID142431728
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
SMILESCN1c2ccccc2C(O)c2cc(Cl)c(Cl)cc2S1(=O)=O
InChIInChI=1S/C14H11Cl2NO3S/c1-17-12-5-3-2-4-8(12)14(18)9-6-10(15)11(16)7-13(9)21(17,19)20/h2-7,14,18H,1H3
InChIKeyBORCTPLMVRZLLV-UHFFFAOYSA-N
XLogP3.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?
The IUPAC name of 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol (CID 142431728) is 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol.
What is the SMILES notation for 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?
The canonical SMILES for 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is CN1c2ccccc2C(O)c2cc(Cl)c(Cl)cc2S1(=O)=O.
What is the InChIKey of 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?
The InChIKey is BORCTPLMVRZLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-17-12-5-3-2-4-8(12)14(18)9-6-10(15)11(16)7-13(9)21(17,19)20/h2-7,14,18H,1H3.
What are the key properties of 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?
2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol has a molecular weight of 344.22 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is sourced from PubChem (CID 142431728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).