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

C7H5ClN2O3S — CID 10331524

IUPAC7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESO=C1Nc2ccc(Cl)cc2S(=O)(=O)N1
InChIInChI=1S/C7H5ClN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKeySDCJBUKXFVQVKG-UHFFFAOYSA-N
MW232.65 g/mol
LogP1.16
Rot. Bonds

About 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (PubChem CID 10331524) has the molecular formula C7H5ClN2O3S and a molecular weight of 232.65 g/mol. Its IUPAC name is 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
PubChem CID10331524
Molecular FormulaC7H5ClN2O3S
Molecular Weight232.65 g/mol
Exact Mass231.97
IUPAC Name7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESO=C1Nc2ccc(Cl)cc2S(=O)(=O)N1
InChIInChI=1S/C7H5ClN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKeySDCJBUKXFVQVKG-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

Idra 21
CID 3688
3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione
CID 474578
AI-204/31750036
CID 730672
5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
CID 10220266
7-Fluoro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
CID 11096006
7-chloro-4-(2-fluoroethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 11161396
1-(4-Chlorophenyl)-3-(3-sulfamoylphenyl)urea
CID 4157467
7-Chloro-4-cyclopropyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 67530520
7-Chloro-3-(1,1-dimethylpropyl)amino-4h-1,2,4-benzothiadiazine-1,1-dioxide
CID 135407182
7-chloro-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135410919
(7-Chloro-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1,2,4]thiadiazin-3-yl)-cyclobutyl-amine
CID 135511335
7-Chloro-4-methyl-2H-1,2,4-benzothiadiazin-3(4H)-on-1,1-dioxide
CID 26598995

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The IUPAC name of 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (CID 10331524) is 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is O=C1Nc2ccc(Cl)cc2S(=O)(=O)N1.
What is the InChIKey of 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The InChIKey is SDCJBUKXFVQVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11).
What are the key properties of 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
7-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 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 10331524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).