4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide

C8H9N3O3S — CID 67605247

IUPAC4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide
SMILESNS(=O)(=O)C1NC(=O)c2ccccc2N1
InChIInChI=1S/C8H9N3O3S/c9-15(13,14)8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4,8,10H,(H,11,12)(H2,9,13,14)
InChIKeyRVIIKGGRRCEEOP-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.59
Rot. Bonds1

About 4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide

4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide (PubChem CID 67605247) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide.

Molecular Properties

Compound Name4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide
PubChem CID67605247
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide
SMILESNS(=O)(=O)C1NC(=O)c2ccccc2N1
InChIInChI=1S/C8H9N3O3S/c9-15(13,14)8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4,8,10H,(H,11,12)(H2,9,13,14)
InChIKeyRVIIKGGRRCEEOP-UHFFFAOYSA-N
XLogP-0.59
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide?
The IUPAC name of 4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide (CID 67605247) is 4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide.
What is the SMILES notation for 4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide?
The canonical SMILES for 4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide is NS(=O)(=O)C1NC(=O)c2ccccc2N1.
What is the InChIKey of 4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide?
The InChIKey is RVIIKGGRRCEEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c9-15(13,14)8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4,8,10H,(H,11,12)(H2,9,13,14).
What are the key properties of 4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide?
4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide has a molecular weight of 227.25 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide is sourced from PubChem (CID 67605247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).