N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C14H17N3O5S — CID 5310306

IUPACN-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H17N3O5S/c1-9-5-6-11(22-4)10(7-9)15-23(20,21)12-8-16(2)14(19)17(3)13(12)18/h5-8,15H,1-4H3
InChIKeyXEOHXURLXCMNSH-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.20
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 5310306) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID5310306
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC NameN-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H17N3O5S/c1-9-5-6-11(22-4)10(7-9)15-23(20,21)12-8-16(2)14(19)17(3)13(12)18/h5-8,15H,1-4H3
InChIKeyXEOHXURLXCMNSH-UHFFFAOYSA-N
XLogP0.20
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475140
N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196405
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 28941062
N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163434
5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 43155714
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 134838868
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
N-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196326

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 5310306) is N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is XEOHXURLXCMNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-9-5-6-11(22-4)10(7-9)15-23(20,21)12-8-16(2)14(19)17(3)13(12)18/h5-8,15H,1-4H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 339.37 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 5310306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).