7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one

C15H10ClNOS — CID 11403484

IUPAC7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one
SMILESO=C1c2ccccc2C2Sc3cc(Cl)ccc3CN12
InChIInChI=1S/C15H10ClNOS/c16-10-6-5-9-8-17-14(18)11-3-1-2-4-12(11)15(17)19-13(9)7-10/h1-7,15H,8H2
InChIKeyAUFGUOGBLFTLBW-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.10
Rot. Bonds

About 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one

7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one (PubChem CID 11403484) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one.

Molecular Properties

Compound Name7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one
PubChem CID11403484
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one
SMILESO=C1c2ccccc2C2Sc3cc(Cl)ccc3CN12
InChIInChI=1S/C15H10ClNOS/c16-10-6-5-9-8-17-14(18)11-3-1-2-4-12(11)15(17)19-13(9)7-10/h1-7,15H,8H2
InChIKeyAUFGUOGBLFTLBW-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one 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 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one?
The IUPAC name of 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one (CID 11403484) is 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one.
What is the SMILES notation for 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one?
The canonical SMILES for 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one is O=C1c2ccccc2C2Sc3cc(Cl)ccc3CN12.
What is the InChIKey of 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one?
The InChIKey is AUFGUOGBLFTLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-10-6-5-9-8-17-14(18)11-3-1-2-4-12(11)15(17)19-13(9)7-10/h1-7,15H,8H2.
What are the key properties of 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one?
7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one has a molecular weight of 287.77 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one is sourced from PubChem (CID 11403484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).