N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide

C11H15N3O3S — CID 66553124

IUPACN-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C11H15N3O3S/c1-3-12-18(16,17)9-4-5-10-8(6-9)7-14(2)11(15)13-10/h4-6,12H,3,7H2,1-2H3,(H,13,15)
InChIKeyAUPWODYXIHOKFV-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.96
Rot. Bonds3

About N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide

N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide (PubChem CID 66553124) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide
PubChem CID66553124
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C11H15N3O3S/c1-3-12-18(16,17)9-4-5-10-8(6-9)7-14(2)11(15)13-10/h4-6,12H,3,7H2,1-2H3,(H,13,15)
InChIKeyAUPWODYXIHOKFV-UHFFFAOYSA-N
XLogP0.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide?
The IUPAC name of N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide (CID 66553124) is N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide.
What is the SMILES notation for N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide?
The canonical SMILES for N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide?
The InChIKey is AUPWODYXIHOKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-3-12-18(16,17)9-4-5-10-8(6-9)7-14(2)11(15)13-10/h4-6,12H,3,7H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide?
N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-oxo-1,4-dihydroquinazoline-6-sulfonamide is sourced from PubChem (CID 66553124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).