N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C13H15N3O4S — CID 3235698

IUPACN-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H15N3O4S/c1-7-5-4-6-8(2)10(7)16-21(19,20)11-9(3)14-13(18)15-12(11)17/h4-6,16H,1-3H3,(H2,14,15,17,18)
InChIKeyICRIFQNXEXYQLK-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.79
Rot. Bonds3

About N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 3235698) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID3235698
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H15N3O4S/c1-7-5-4-6-8(2)10(7)16-21(19,20)11-9(3)14-13(18)15-12(11)17/h4-6,16H,1-3H3,(H2,14,15,17,18)
InChIKeyICRIFQNXEXYQLK-UHFFFAOYSA-N
XLogP0.79
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 3235698) is N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is ICRIFQNXEXYQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7-5-4-6-8(2)10(7)16-21(19,20)11-9(3)14-13(18)15-12(11)17/h4-6,16H,1-3H3,(H2,14,15,17,18).
What are the key properties of N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 309.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 3235698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).