2-ethylsulfonyl-3H-quinazolin-4-one

C10H10N2O3S — CID 135760560

IUPAC2-ethylsulfonyl-3H-quinazolin-4-one
SMILESCCS(=O)(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H10N2O3S/c1-2-16(14,15)10-11-8-6-4-3-5-7(8)9(13)12-10/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyGVXPBIKUQQSFKM-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.72
Rot. Bonds2

About 2-ethylsulfonyl-3H-quinazolin-4-one

2-ethylsulfonyl-3H-quinazolin-4-one (PubChem CID 135760560) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-ethylsulfonyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-ethylsulfonyl-3H-quinazolin-4-one
PubChem CID135760560
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-ethylsulfonyl-3H-quinazolin-4-one
SMILESCCS(=O)(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H10N2O3S/c1-2-16(14,15)10-11-8-6-4-3-5-7(8)9(13)12-10/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyGVXPBIKUQQSFKM-UHFFFAOYSA-N
XLogP0.72
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-3H-quinazolin-4-one?
The IUPAC name of 2-ethylsulfonyl-3H-quinazolin-4-one (CID 135760560) is 2-ethylsulfonyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-ethylsulfonyl-3H-quinazolin-4-one?
The canonical SMILES for 2-ethylsulfonyl-3H-quinazolin-4-one is CCS(=O)(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-ethylsulfonyl-3H-quinazolin-4-one?
The InChIKey is GVXPBIKUQQSFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-2-16(14,15)10-11-8-6-4-3-5-7(8)9(13)12-10/h3-6H,2H2,1H3,(H,11,12,13).
What are the key properties of 2-ethylsulfonyl-3H-quinazolin-4-one?
2-ethylsulfonyl-3H-quinazolin-4-one has a molecular weight of 238.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-3H-quinazolin-4-one is sourced from PubChem (CID 135760560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).