2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide

C9H10BrN3O4S — CID 10337066

IUPAC2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide
SMILESO=C(CN1Cc2c(Br)cccc2NS1(=O)=O)NO
InChIInChI=1S/C9H10BrN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
InChIKeyDGNVJCMNJJWGBV-UHFFFAOYSA-N
MW336.17 g/mol
LogP0.43
Rot. Bonds2

About 2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide

2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide (PubChem CID 10337066) has the molecular formula C9H10BrN3O4S and a molecular weight of 336.17 g/mol. Its IUPAC name is 2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide
PubChem CID10337066
Molecular FormulaC9H10BrN3O4S
Molecular Weight336.17 g/mol
Exact Mass334.96
IUPAC Name2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide
SMILESO=C(CN1Cc2c(Br)cccc2NS1(=O)=O)NO
InChIInChI=1S/C9H10BrN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
InChIKeyDGNVJCMNJJWGBV-UHFFFAOYSA-N
XLogP0.43
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide (CID 10337066) is 2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide is O=C(CN1Cc2c(Br)cccc2NS1(=O)=O)NO.
What is the InChIKey of 2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide?
The InChIKey is DGNVJCMNJJWGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14).
What are the key properties of 2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide?
2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide has a molecular weight of 336.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-hydroxyacetamide is sourced from PubChem (CID 10337066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).