5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

C7H5ClN2O3S — CID 10220266

IUPAC5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESO=C1Nc2c(Cl)cccc2S(=O)(=O)N1
InChIInChI=1S/C7H5ClN2O3S/c8-4-2-1-3-5-6(4)9-7(11)10-14(5,12)13/h1-3H,(H2,9,10,11)
InChIKeyLHWAXFMPTHUVQY-UHFFFAOYSA-N
MW232.65 g/mol
LogP1.16
Rot. Bonds

About 5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (PubChem CID 10220266) has the molecular formula C7H5ClN2O3S and a molecular weight of 232.65 g/mol. Its IUPAC name is 5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
PubChem CID10220266
Molecular FormulaC7H5ClN2O3S
Molecular Weight232.65 g/mol
Exact Mass231.97
IUPAC Name5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESO=C1Nc2c(Cl)cccc2S(=O)(=O)N1
InChIInChI=1S/C7H5ClN2O3S/c8-4-2-1-3-5-6(4)9-7(11)10-14(5,12)13/h1-3H,(H2,9,10,11)
InChIKeyLHWAXFMPTHUVQY-UHFFFAOYSA-N
XLogP1.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione
CID 474578
5-fluoro-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 82078731
7-chloro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
CID 10331524
7-Chloro-4-methyl-2H-1,2,4-benzothiadiazin-3(4H)-on-1,1-dioxide
CID 26598995
7-Chloro-4-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16732325
6-chloro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
CID 12487094
5-Chloro-4-cyclopropyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 67530190
5-chloro-N-cyclobutyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135845165
5-chloro-1,1-dioxo-N-propyl-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135845216
5-Chloro-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135845266
7-Chloro-2-ethyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 471048
7-Chloro-2-(3-methyl-2-butenyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 471049

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The IUPAC name of 5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (CID 10220266) is 5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is O=C1Nc2c(Cl)cccc2S(=O)(=O)N1.
What is the InChIKey of 5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The InChIKey is LHWAXFMPTHUVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3S/c8-4-2-1-3-5-6(4)9-7(11)10-14(5,12)13/h1-3H,(H2,9,10,11).
What are the key properties of 5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one has a molecular weight of 232.65 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 10220266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).