N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C12H12FN3O4S — CID 22521102

IUPACN-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1F
InChIInChI=1S/C12H12FN3O4S/c1-6-3-4-8(5-9(6)13)16-21(19,20)10-7(2)14-12(18)15-11(10)17/h3-5,16H,1-2H3,(H2,14,15,17,18)
InChIKeyFQOJLADPXZWEAI-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.62
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 22521102) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID22521102
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC NameN-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1F
InChIInChI=1S/C12H12FN3O4S/c1-6-3-4-8(5-9(6)13)16-21(19,20)10-7(2)14-12(18)15-11(10)17/h3-5,16H,1-2H3,(H2,14,15,17,18)
InChIKeyFQOJLADPXZWEAI-UHFFFAOYSA-N
XLogP0.62
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 22521102) is N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is FQOJLADPXZWEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c1-6-3-4-8(5-9(6)13)16-21(19,20)10-7(2)14-12(18)15-11(10)17/h3-5,16H,1-2H3,(H2,14,15,17,18).
What are the key properties of N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 313.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 22521102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).