7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one

C8H7NO4S — CID 102084003

IUPAC7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCOc1cccc2c1S(=O)(=O)NC2=O
InChIInChI=1S/C8H7NO4S/c1-13-6-4-2-3-5-7(6)14(11,12)9-8(5)10/h2-4H,1H3,(H,9,10)
InChIKeyFKMRUSIYXJLNLC-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.13
Rot. Bonds1

About 7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one

7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 102084003) has the molecular formula C8H7NO4S and a molecular weight of 213.21 g/mol. Its IUPAC name is 7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID102084003
Molecular FormulaC8H7NO4S
Molecular Weight213.21 g/mol
Exact Mass213.01
IUPAC Name7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCOc1cccc2c1S(=O)(=O)NC2=O
InChIInChI=1S/C8H7NO4S/c1-13-6-4-2-3-5-7(6)14(11,12)9-8(5)10/h2-4H,1H3,(H,9,10)
InChIKeyFKMRUSIYXJLNLC-UHFFFAOYSA-N
XLogP0.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-7-(trifluoromethyl)-1,2-benzothiazol-3-one
CID 70052054
4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one
CID 84734053
1,1-dioxo-1,2-benzothiazol-3-one;hydron
CID 135264124
1,1-dioxo-1,2-benzothiazol-3-one;iron
CID 175330188
2-(7-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine
CID 117197796
2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-4-one
CID 15542772
1,5-dimethoxyfluoren-9-one
CID 19594782
CID 174881995
CID 174881995
5-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 82126298
3-(7-methoxy-1,1-dioxo-1-benzothiophen-3-yl)propan-1-amine
CID 117197802
4-(2-methoxyphenyl)-1H-indole-2,3-dione
CID 141372249
2-bromo-4-methoxy-2,3-dihydroinden-1-one
CID 82024143

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one (CID 102084003) is 7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one is COc1cccc2c1S(=O)(=O)NC2=O.
What is the InChIKey of 7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is FKMRUSIYXJLNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4S/c1-13-6-4-2-3-5-7(6)14(11,12)9-8(5)10/h2-4H,1H3,(H,9,10).
What are the key properties of 7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one?
7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 213.21 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 102084003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).