6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide

C8H6BrN3O4S — CID 119084134

IUPAC6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C8H6BrN3O4S/c9-3-1-4-6(5(2-3)17(10,15)16)11-8(14)12-7(4)13/h1-2H,(H2,10,15,16)(H2,11,12,13,14)
InChIKeyAJZUUPRMLIRHQZ-UHFFFAOYSA-N
MW320.12 g/mol
LogP-0.37
Rot. Bonds1

About 6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide

6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide (PubChem CID 119084134) has the molecular formula C8H6BrN3O4S and a molecular weight of 320.12 g/mol. Its IUPAC name is 6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide.

Molecular Properties

Compound Name6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide
PubChem CID119084134
Molecular FormulaC8H6BrN3O4S
Molecular Weight320.12 g/mol
Exact Mass318.93
IUPAC Name6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C8H6BrN3O4S/c9-3-1-4-6(5(2-3)17(10,15)16)11-8(14)12-7(4)13/h1-2H,(H2,10,15,16)(H2,11,12,13,14)
InChIKeyAJZUUPRMLIRHQZ-UHFFFAOYSA-N
XLogP-0.37
TPSA125.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide?
The IUPAC name of 6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide (CID 119084134) is 6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide.
What is the SMILES notation for 6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide?
The canonical SMILES for 6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide is NS(=O)(=O)c1cc(Br)cc2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide?
The InChIKey is AJZUUPRMLIRHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O4S/c9-3-1-4-6(5(2-3)17(10,15)16)11-8(14)12-7(4)13/h1-2H,(H2,10,15,16)(H2,11,12,13,14).
What are the key properties of 6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide?
6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide has a molecular weight of 320.12 g/mol, XLogP of -0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dioxo-1H-quinazoline-8-sulfonamide is sourced from PubChem (CID 119084134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).