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

C14H17N3O4S — CID 7161162

IUPACN-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1
InChIInChI=1S/C14H17N3O4S/c1-9-5-6-11(10(2)7-9)15-22(20,21)12-8-16(3)14(19)17(4)13(12)18/h5-8,15H,1-4H3
InChIKeyQGQWHAXTXXRZTM-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.50
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 7161162) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID7161162
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1
InChIInChI=1S/C14H17N3O4S/c1-9-5-6-11(10(2)7-9)15-22(20,21)12-8-16(3)14(19)17(4)13(12)18/h5-8,15H,1-4H3
InChIKeyQGQWHAXTXXRZTM-UHFFFAOYSA-N
XLogP0.50
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 7161162) is N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is QGQWHAXTXXRZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9-5-6-11(10(2)7-9)15-22(20,21)12-8-16(3)14(19)17(4)13(12)18/h5-8,15H,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7161162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).