1,4-dihydroquinazoline-2-sulfonamide

C8H9N3O2S — CID 143322836

IUPAC1,4-dihydroquinazoline-2-sulfonamide
SMILESNS(=O)(=O)C1=NCc2ccccc2N1
InChIInChI=1S/C8H9N3O2S/c9-14(12,13)8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyFLMXETXSZXWIDD-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.26
Rot. Bonds

About 1,4-dihydroquinazoline-2-sulfonamide

1,4-dihydroquinazoline-2-sulfonamide (PubChem CID 143322836) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 1,4-dihydroquinazoline-2-sulfonamide.

Molecular Properties

Compound Name1,4-dihydroquinazoline-2-sulfonamide
PubChem CID143322836
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name1,4-dihydroquinazoline-2-sulfonamide
SMILESNS(=O)(=O)C1=NCc2ccccc2N1
InChIInChI=1S/C8H9N3O2S/c9-14(12,13)8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyFLMXETXSZXWIDD-UHFFFAOYSA-N
XLogP0.26
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroquinazoline-2-sulfonamide?
The IUPAC name of 1,4-dihydroquinazoline-2-sulfonamide (CID 143322836) is 1,4-dihydroquinazoline-2-sulfonamide.
What is the SMILES notation for 1,4-dihydroquinazoline-2-sulfonamide?
The canonical SMILES for 1,4-dihydroquinazoline-2-sulfonamide is NS(=O)(=O)C1=NCc2ccccc2N1.
What is the InChIKey of 1,4-dihydroquinazoline-2-sulfonamide?
The InChIKey is FLMXETXSZXWIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c9-14(12,13)8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)(H2,9,12,13).
What are the key properties of 1,4-dihydroquinazoline-2-sulfonamide?
1,4-dihydroquinazoline-2-sulfonamide has a molecular weight of 211.25 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroquinazoline-2-sulfonamide is sourced from PubChem (CID 143322836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).