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

C7H5BrN2O3S — CID 10107532

IUPAC7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESO=C1Nc2ccc(Br)cc2S(=O)(=O)N1
InChIInChI=1S/C7H5BrN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKeyVTJWRYVVYUVXJO-UHFFFAOYSA-N
MW277.10 g/mol
LogP1.27
Rot. Bonds

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

7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (PubChem CID 10107532) has the molecular formula C7H5BrN2O3S and a molecular weight of 277.10 g/mol. Its IUPAC name is 7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
PubChem CID10107532
Molecular FormulaC7H5BrN2O3S
Molecular Weight277.10 g/mol
Exact Mass275.92
IUPAC Name7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESO=C1Nc2ccc(Br)cc2S(=O)(=O)N1
InChIInChI=1S/C7H5BrN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKeyVTJWRYVVYUVXJO-UHFFFAOYSA-N
XLogP1.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 51.27
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
7-Fluoro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
CID 11096006
5-Bromo-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
CID 10016330
4-(3-(4-Bromophenyl)ureido)benzenesulfonamide
CID 27869982
7-Bromo-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135404740
7-bromo-N-ethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135471767
7-Bromo-4-cyclopropyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 44608340
7-bromo-N-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135404720
7-bromo-N-cyclobutyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135450195
7-bromo-N-butan-2-yl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135456786
7-bromo-N-cyclopropyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135456820
7-bromo-N-(3-methylbutan-2-yl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135469051

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The IUPAC name of 7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (CID 10107532) is 7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is O=C1Nc2ccc(Br)cc2S(=O)(=O)N1.
What is the InChIKey of 7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The InChIKey is VTJWRYVVYUVXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O3S/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-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one has a molecular weight of 277.10 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 10107532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).