N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C14H17N3O5S — CID 7161160

IUPACN-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H17N3O5S/c1-4-22-11-8-6-5-7-10(11)15-23(20,21)12-9-16(2)14(19)17(3)13(12)18/h5-9,15H,4H2,1-3H3
InChIKeyDFJXXBYCUSPQNZ-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.28
Rot. Bonds5

About N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 7161160) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID7161160
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC NameN-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H17N3O5S/c1-4-22-11-8-6-5-7-10(11)15-23(20,21)12-9-16(2)14(19)17(3)13(12)18/h5-9,15H,4H2,1-3H3
InChIKeyDFJXXBYCUSPQNZ-UHFFFAOYSA-N
XLogP0.28
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 7161160) is N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is DFJXXBYCUSPQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-4-22-11-8-6-5-7-10(11)15-23(20,21)12-9-16(2)14(19)17(3)13(12)18/h5-9,15H,4H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 339.37 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7161160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).