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

C12H13N3O6S — CID 7161235

IUPACN-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c(OC)c1
InChIInChI=1S/C12H13N3O6S/c1-20-7-3-4-8(9(5-7)21-2)15-22(18,19)10-6-13-12(17)14-11(10)16/h3-6,15H,1-2H3,(H2,13,14,16,17)
InChIKeyLEFFDJGIHLTTQS-UHFFFAOYSA-N
MW327.32 g/mol
LogP-0.12
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7161235) has the molecular formula C12H13N3O6S and a molecular weight of 327.32 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7161235
Molecular FormulaC12H13N3O6S
Molecular Weight327.32 g/mol
Exact Mass327.05
IUPAC NameN-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c(OC)c1
InChIInChI=1S/C12H13N3O6S/c1-20-7-3-4-8(9(5-7)21-2)15-22(18,19)10-6-13-12(17)14-11(10)16/h3-6,15H,1-2H3,(H2,13,14,16,17)
InChIKeyLEFFDJGIHLTTQS-UHFFFAOYSA-N
XLogP-0.12
TPSA130.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
N-(2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586552
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161234
N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26979627
N-(2,5-dimethoxyphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913991
N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7244632
N-(2,4-dimethoxyphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide
CID 23611891

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7161235) is N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is COc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is LEFFDJGIHLTTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O6S/c1-20-7-3-4-8(9(5-7)21-2)15-22(18,19)10-6-13-12(17)14-11(10)16/h3-6,15H,1-2H3,(H2,13,14,16,17).
What are the key properties of N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 327.32 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7161235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).