N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C11H11N3O4S — CID 7161234

IUPACN-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H11N3O4S/c1-7-2-4-8(5-3-7)14-19(17,18)9-6-12-11(16)13-10(9)15/h2-6,14H,1H3,(H2,12,13,15,16)
InChIKeyPDIPUMFFNWHUPM-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.17
Rot. Bonds3

About N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7161234) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7161234
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC NameN-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H11N3O4S/c1-7-2-4-8(5-3-7)14-19(17,18)9-6-12-11(16)13-10(9)15/h2-6,14H,1H3,(H2,12,13,15,16)
InChIKeyPDIPUMFFNWHUPM-UHFFFAOYSA-N
XLogP0.17
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7161234) is N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is PDIPUMFFNWHUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-7-2-4-8(5-3-7)14-19(17,18)9-6-12-11(16)13-10(9)15/h2-6,14H,1H3,(H2,12,13,15,16).
What are the key properties of N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 281.29 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7161234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).