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

C14H17N3O7S — CID 3508793

IUPAC6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C14H17N3O7S/c1-7-12(13(18)16-14(19)15-7)25(20,21)17-8-5-9(22-2)11(24-4)10(6-8)23-3/h5-6,17H,1-4H3,(H2,15,16,18,19)
InChIKeyQYZZOXSYFIPRCQ-UHFFFAOYSA-N
MW371.37 g/mol
LogP0.20
Rot. Bonds6

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

6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide (PubChem CID 3508793) has the molecular formula C14H17N3O7S and a molecular weight of 371.37 g/mol. Its IUPAC name is 6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide
PubChem CID3508793
Molecular FormulaC14H17N3O7S
Molecular Weight371.37 g/mol
Exact Mass371.08
IUPAC Name6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C14H17N3O7S/c1-7-12(13(18)16-14(19)15-7)25(20,21)17-8-5-9(22-2)11(24-4)10(6-8)23-3/h5-6,17H,1-4H3,(H2,15,16,18,19)
InChIKeyQYZZOXSYFIPRCQ-UHFFFAOYSA-N
XLogP0.20
TPSA139.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 28561001
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 25038248
1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
CID 83092973
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide
CID 18738997
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide
CID 50784621
N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 6324323
6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide
CID 53092178
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 19059821
methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate
CID 53069046

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide (CID 3508793) is 6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide is COc1cc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide?
The InChIKey is QYZZOXSYFIPRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O7S/c1-7-12(13(18)16-14(19)15-7)25(20,21)17-8-5-9(22-2)11(24-4)10(6-8)23-3/h5-6,17H,1-4H3,(H2,15,16,18,19).
What are the key properties of 6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide?
6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide has a molecular weight of 371.37 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 3508793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).