5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol

C9H10ClNO3S — CID 16656057

IUPAC5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
SMILESCCN1C(O)c2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C9H10ClNO3S/c1-2-11-9(12)7-5-6(10)3-4-8(7)15(11,13)14/h3-5,9,12H,2H2,1H3
InChIKeyTYWJTFIUWBZBJB-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.36
Rot. Bonds1

About 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol

5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol (PubChem CID 16656057) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol.

Molecular Properties

Compound Name5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
PubChem CID16656057
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
SMILESCCN1C(O)c2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C9H10ClNO3S/c1-2-11-9(12)7-5-6(10)3-4-8(7)15(11,13)14/h3-5,9,12H,2H2,1H3
InChIKeyTYWJTFIUWBZBJB-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 6-chloro-2-methyl-1,1,3-trioxo-4H-1λ6,2-benzothiazine-4-carboxylate
CID 10734291
2-(5-chloro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetic acid
CID 59613925
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 117202014
6-chloro-2-ethyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 67718228
6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43538964
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,1-dioxo-3H-1,2-benzothiazol-3-ol
CID 51107762
ethyl 2-[(3S)-2-[(4-chlorophenyl)methyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]acetate
CID 24747542
(3S,4R)-3-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol
CID 51690815
5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 117202009
6-chloro-2-methyl-1,1-dioxo-4H-1λ6,2-benzothiazin-3-one
CID 10824296
1-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
CID 117202208
5-chloro-3-hydroxy-2-(2-methylpropyl)-3H-isoindol-1-one
CID 22025424

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
The IUPAC name of 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol (CID 16656057) is 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol.
What is the SMILES notation for 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
The canonical SMILES for 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol is CCN1C(O)c2cc(Cl)ccc2S1(=O)=O.
What is the InChIKey of 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
The InChIKey is TYWJTFIUWBZBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-2-11-9(12)7-5-6(10)3-4-8(7)15(11,13)14/h3-5,9,12H,2H2,1H3.
What are the key properties of 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol has a molecular weight of 247.70 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol is sourced from PubChem (CID 16656057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).