4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide

C14H16N4O5S — CID 137035533

IUPAC4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C14H16N4O5S/c1-15-24(22,23)10-6-4-9(5-7-10)16-8-11-12(19)17(2)14(21)18(3)13(11)20/h4-8,15,19H,1-3H3/b16-8+
InChIKeyCZBPPEXUTMPYJK-LZYBPNLTSA-N
MW352.37 g/mol
LogP-0.55
Rot. Bonds4

About 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide

4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide (PubChem CID 137035533) has the molecular formula C14H16N4O5S and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide
PubChem CID137035533
Molecular FormulaC14H16N4O5S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC Name4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C14H16N4O5S/c1-15-24(22,23)10-6-4-9(5-7-10)16-8-11-12(19)17(2)14(21)18(3)13(11)20/h4-8,15,19H,1-3H3/b16-8+
InChIKeyCZBPPEXUTMPYJK-LZYBPNLTSA-N
XLogP-0.55
TPSA122.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4623736
5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 2288283
4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide
CID 5095728
6-hydroxy-1,3-dimethyl-5-[(4-phenyldiazenylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137073260
6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
CID 657430
5-[(4-bromo-3-methylphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 137035530
4-[[2-(3,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]-N-methylbenzenesulfonamide
CID 2533951
4-[[1-(2,4-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-N-methylbenzenesulfonamide
CID 137073647
4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 5146115
5-[(Z)-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135548542
4-hydroxy-1,6-dimethyl-3-(phenyliminomethyl)pyridin-2-one
CID 137227914
4-[(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 135689474

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide (CID 137035533) is 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide?
The InChIKey is CZBPPEXUTMPYJK-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H16N4O5S/c1-15-24(22,23)10-6-4-9(5-7-10)16-8-11-12(19)17(2)14(21)18(3)13(11)20/h4-8,15,19H,1-3H3/b16-8+.
What are the key properties of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide?
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide has a molecular weight of 352.37 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 137035533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).