4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride

C8H7ClN2O3S — CID 88706034

IUPAC4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride
SMILESO=C1NCN(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C8H7ClN2O3S/c9-15(13,14)11-5-10-8(12)6-3-1-2-4-7(6)11/h1-4H,5H2,(H,10,12)
InChIKeyWCYJEIIHFNBMHE-UHFFFAOYSA-N
MW246.68 g/mol
LogP0.68
Rot. Bonds1

About 4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride

4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride (PubChem CID 88706034) has the molecular formula C8H7ClN2O3S and a molecular weight of 246.68 g/mol. Its IUPAC name is 4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride.

Molecular Properties

Compound Name4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride
PubChem CID88706034
Molecular FormulaC8H7ClN2O3S
Molecular Weight246.68 g/mol
Exact Mass245.99
IUPAC Name4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride
SMILESO=C1NCN(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C8H7ClN2O3S/c9-15(13,14)11-5-10-8(12)6-3-1-2-4-7(6)11/h1-4H,5H2,(H,10,12)
InChIKeyWCYJEIIHFNBMHE-UHFFFAOYSA-N
XLogP0.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.68
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride?
The IUPAC name of 4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride (CID 88706034) is 4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride.
What is the SMILES notation for 4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride?
The canonical SMILES for 4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride is O=C1NCN(S(=O)(=O)Cl)c2ccccc21.
What is the InChIKey of 4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride?
The InChIKey is WCYJEIIHFNBMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3S/c9-15(13,14)11-5-10-8(12)6-3-1-2-4-7(6)11/h1-4H,5H2,(H,10,12).
What are the key properties of 4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride?
4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride has a molecular weight of 246.68 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydroquinazoline-1-sulfonyl chloride is sourced from PubChem (CID 88706034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).