N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide

C12H13N3O4S — CID 7658256

IUPACN-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H13N3O4S/c1-2-15(9-6-4-3-5-7-9)20(18,19)10-8-13-12(17)14-11(10)16/h3-8H,2H2,1H3,(H2,13,14,16,17)
InChIKeyLXQHRMUOVJKJIC-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.28
Rot. Bonds4

About N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide

N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide (PubChem CID 7658256) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide
PubChem CID7658256
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC NameN-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H13N3O4S/c1-2-15(9-6-4-3-5-7-9)20(18,19)10-8-13-12(17)14-11(10)16/h3-8H,2H2,1H3,(H2,13,14,16,17)
InChIKeyLXQHRMUOVJKJIC-UHFFFAOYSA-N
XLogP0.28
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-sulfonamide
CID 829830
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 79667611
2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
CID 28514650
methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate
CID 61010503
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43258966
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide
CID 54922418
N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide
CID 20914041
6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 3513999
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 79652234

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide (CID 7658256) is N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide?
The InChIKey is LXQHRMUOVJKJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-2-15(9-6-4-3-5-7-9)20(18,19)10-8-13-12(17)14-11(10)16/h3-8H,2H2,1H3,(H2,13,14,16,17).
What are the key properties of N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide?
N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide has a molecular weight of 295.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7658256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).