1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one

C7H5ClN2O2S — CID 155431939

IUPAC1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one
SMILESNS1(=O)=NC(=O)c2ccc(Cl)cc21
InChIInChI=1S/C7H5ClN2O2S/c8-4-1-2-5-6(3-4)13(9,12)10-7(5)11/h1-3H,(H2,9,10,11,12)
InChIKeyFZMJERSEQSMTAF-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.19
Rot. Bonds

About 1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one

1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one (PubChem CID 155431939) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one
PubChem CID155431939
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one
SMILESNS1(=O)=NC(=O)c2ccc(Cl)cc21
InChIInChI=1S/C7H5ClN2O2S/c8-4-1-2-5-6(3-4)13(9,12)10-7(5)11/h1-3H,(H2,9,10,11,12)
InChIKeyFZMJERSEQSMTAF-UHFFFAOYSA-N
XLogP1.19
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15371518
6-chloro-2-ethyl-1,1-dioxo-1,2-benzothiazol-3-one
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6-chloro-2-methyl-1,1-dioxo-1-benzothiophen-3-olate
CID 20614841
6-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-one
CID 2739106
5-chloroindazol-3-one
CID 23063946
6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide
CID 117061278
6-chloro-N,N,3-trimethyl-1,1-dioxo-1-benzothiophen-2-amine
CID 67745062
8-chloro-1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
CID 105357096
3-(2,4-dichlorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 132590876
6-chloro-3-(pyridin-3-yloxymethyl)-1-benzothiophene 1,1-dioxide
CID 117177899
ethyl 2-(6-chloro-3-methyl-1,1-dioxo-1-benzothiophen-2-yl)-2-oxoacetate
CID 115072780
5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one?
The IUPAC name of 1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one (CID 155431939) is 1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one?
The canonical SMILES for 1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one is NS1(=O)=NC(=O)c2ccc(Cl)cc21.
What is the InChIKey of 1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one?
The InChIKey is FZMJERSEQSMTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-4-1-2-5-6(3-4)13(9,12)10-7(5)11/h1-3H,(H2,9,10,11,12).
What are the key properties of 1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one?
1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one has a molecular weight of 216.65 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-chloro-1-oxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 155431939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).