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

C14H12ClNO3S — CID 130276673

IUPAC8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
SMILESCN1c2cc(Cl)ccc2C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C14H12ClNO3S/c1-16-12-8-9(15)6-7-10(12)14(17)11-4-2-3-5-13(11)20(16,18)19/h2-8,14,17H,1H3
InChIKeyZQDYTMXXVUJVCV-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.56
Rot. Bonds

About 8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol

8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol (PubChem CID 130276673) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol.

Molecular Properties

Compound Name8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
PubChem CID130276673
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
SMILESCN1c2cc(Cl)ccc2C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C14H12ClNO3S/c1-16-12-8-9(15)6-7-10(12)14(17)11-4-2-3-5-13(11)20(16,18)19/h2-8,14,17H,1H3
InChIKeyZQDYTMXXVUJVCV-UHFFFAOYSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44432737
CID 44432739
CID 44432739
CID 44432740
CID 44432740
CID 44432742
CID 44432742
CID 44432743
CID 44432743
CID 44432744
CID 44432744
CID 44432745
CID 44432745
CID 44432746
CID 44432746

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?
The IUPAC name of 8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol (CID 130276673) is 8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol.
What is the SMILES notation for 8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?
The canonical SMILES for 8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is CN1c2cc(Cl)ccc2C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of 8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?
The InChIKey is ZQDYTMXXVUJVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-16-12-8-9(15)6-7-10(12)14(17)11-4-2-3-5-13(11)20(16,18)19/h2-8,14,17H,1H3.
What are the key properties of 8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?
8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol has a molecular weight of 309.77 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is sourced from PubChem (CID 130276673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).