6-chloro-4H-1,4-benzothiazin-3-one

C8H6ClNOS — CID 11446968

IUPAC6-chloro-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(Cl)cc2N1
InChIInChI=1S/C8H6ClNOS/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
InChIKeyCUAYHCBWNOSTBU-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.38
Rot. Bonds

About 6-chloro-4H-1,4-benzothiazin-3-one

6-chloro-4H-1,4-benzothiazin-3-one (PubChem CID 11446968) has the molecular formula C8H6ClNOS and a molecular weight of 199.66 g/mol. Its IUPAC name is 6-chloro-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-chloro-4H-1,4-benzothiazin-3-one
PubChem CID11446968
Molecular FormulaC8H6ClNOS
Molecular Weight199.66 g/mol
Exact Mass198.99
IUPAC Name6-chloro-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(Cl)cc2N1
InChIInChI=1S/C8H6ClNOS/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
InChIKeyCUAYHCBWNOSTBU-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-4H-1,4-benzothiazin-3-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 6-chloro-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-chloro-4H-1,4-benzothiazin-3-one (CID 11446968) is 6-chloro-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-chloro-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-chloro-4H-1,4-benzothiazin-3-one is O=C1CSc2ccc(Cl)cc2N1.
What is the InChIKey of 6-chloro-4H-1,4-benzothiazin-3-one?
The InChIKey is CUAYHCBWNOSTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11).
What are the key properties of 6-chloro-4H-1,4-benzothiazin-3-one?
6-chloro-4H-1,4-benzothiazin-3-one has a molecular weight of 199.66 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 11446968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).