N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide

C14H19N3O4S — CID 4093912

IUPACN,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)c(=O)n(CC)c(=O)n2CC
InChIInChI=1S/C14H19N3O4S/c1-4-15-22(20,21)10-7-8-12-11(9-10)13(18)17(6-3)14(19)16(12)5-2/h7-9,15H,4-6H2,1-3H3
InChIKeyOLGSVKSQALZPKZ-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.50
Rot. Bonds5

About N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide

N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 4093912) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID4093912
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)c(=O)n(CC)c(=O)n2CC
InChIInChI=1S/C14H19N3O4S/c1-4-15-22(20,21)10-7-8-12-11(9-10)13(18)17(6-3)14(19)16(12)5-2/h7-9,15H,4-6H2,1-3H3
InChIKeyOLGSVKSQALZPKZ-UHFFFAOYSA-N
XLogP0.50
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanooxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 169032063
N-[3-(difluoromethyl)oxetan-3-yl]-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 169032152
N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 169032025
3-ethyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398359
1-benzyl-3-ethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398750
1,3-diethyl-2-oxobenzimidazole-5-sulfonyl chloride
CID 82048446
methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
CID 118658750
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
CID 46786417
1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
CID 17252069
N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677089
1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 17252071
3-ethyl-1-(methylsulfanylmethyl)-6-nitroquinazoline-2,4-dione
CID 118658724

Frequently Asked Questions

What is the IUPAC name of N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide (CID 4093912) is N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(CC)c(=O)n2CC.
What is the InChIKey of N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is OLGSVKSQALZPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-4-15-22(20,21)10-7-8-12-11(9-10)13(18)17(6-3)14(19)16(12)5-2/h7-9,15H,4-6H2,1-3H3.
What are the key properties of N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide?
N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 4093912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).