2-chloro-4-hydroxy-1,4-benzothiazin-3-one

C8H6ClNO2S — CID 10059146

IUPAC2-chloro-4-hydroxy-1,4-benzothiazin-3-one
SMILESO=C1C(Cl)Sc2ccccc2N1O
InChIInChI=1S/C8H6ClNO2S/c9-7-8(11)10(12)5-3-1-2-4-6(5)13-7/h1-4,7,12H
InChIKeyTZVJFZOXWMOCJR-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.08
Rot. Bonds

About 2-chloro-4-hydroxy-1,4-benzothiazin-3-one

2-chloro-4-hydroxy-1,4-benzothiazin-3-one (PubChem CID 10059146) has the molecular formula C8H6ClNO2S and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-chloro-4-hydroxy-1,4-benzothiazin-3-one
PubChem CID10059146
Molecular FormulaC8H6ClNO2S
Molecular Weight215.66 g/mol
Exact Mass214.98
IUPAC Name2-chloro-4-hydroxy-1,4-benzothiazin-3-one
SMILESO=C1C(Cl)Sc2ccccc2N1O
InChIInChI=1S/C8H6ClNO2S/c9-7-8(11)10(12)5-3-1-2-4-6(5)13-7/h1-4,7,12H
InChIKeyTZVJFZOXWMOCJR-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
CID 13220468
(4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one
CID 930835
3-chloro-2H-1,3-benzothiazole-2-carbaldehyde
CID 87189009
2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 13375165
1-hydroxy-3-methyl-3H-indol-2-one
CID 14740978
4-benzyl-2-methylsulfanyl-1,4-benzothiazin-3-one
CID 177488422
4-chloro-5-phenyl-7-(2-phenyltriazol-4-yl)-8-thia-2-azatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-3-one
CID 101204527
3-methyl-2H-1,3-benzothiazole-2-carbaldehyde
CID 174407805
methyl 3-(3-oxo-2-propan-2-yl-1,4-benzothiazin-4-yl)propanoate
CID 69261510
3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 175255836
2,3-dimethyl-2H-1,3-benzothiazole;methanesulfonic acid
CID 174323194
(3'S,4'R,5'R)-3',4,4',5'-tetrahydroxyspiro[1,4-benzothiazine-2,2'-oxane]-3-one
CID 100969488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydroxy-1,4-benzothiazin-3-one?
The IUPAC name of 2-chloro-4-hydroxy-1,4-benzothiazin-3-one (CID 10059146) is 2-chloro-4-hydroxy-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-chloro-4-hydroxy-1,4-benzothiazin-3-one?
The canonical SMILES for 2-chloro-4-hydroxy-1,4-benzothiazin-3-one is O=C1C(Cl)Sc2ccccc2N1O.
What is the InChIKey of 2-chloro-4-hydroxy-1,4-benzothiazin-3-one?
The InChIKey is TZVJFZOXWMOCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2S/c9-7-8(11)10(12)5-3-1-2-4-6(5)13-7/h1-4,7,12H.
What are the key properties of 2-chloro-4-hydroxy-1,4-benzothiazin-3-one?
2-chloro-4-hydroxy-1,4-benzothiazin-3-one has a molecular weight of 215.66 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxy-1,4-benzothiazin-3-one is sourced from PubChem (CID 10059146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).