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

C8H7N3O4S — CID 16790339

IUPAC2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C8H7N3O4S/c9-16(14,15)4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,9,14,15)(H2,10,11,12,13)
InChIKeyKAWUVVGXVHQMKP-UHFFFAOYSA-N
MW241.23 g/mol
LogP-1.14
Rot. Bonds1

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

2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 16790339) has the molecular formula C8H7N3O4S and a molecular weight of 241.23 g/mol. Its IUPAC name is 2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID16790339
Molecular FormulaC8H7N3O4S
Molecular Weight241.23 g/mol
Exact Mass241.02
IUPAC Name2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C8H7N3O4S/c9-16(14,15)4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,9,14,15)(H2,10,11,12,13)
InChIKeyKAWUVVGXVHQMKP-UHFFFAOYSA-N
XLogP-1.14
TPSA125.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of 2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 16790339) is 2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for 2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for 2,4-dioxo-1H-quinazoline-6-sulfonamide is NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is KAWUVVGXVHQMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S/c9-16(14,15)4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,9,14,15)(H2,10,11,12,13).
What are the key properties of 2,4-dioxo-1H-quinazoline-6-sulfonamide?
2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 241.23 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 16790339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).