4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C18H20N4O4S — CID 59680651

IUPAC4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)C(C)C(C)C3=O)cc2)n1
InChIInChI=1S/C18H20N4O4S/c1-10-9-11(2)20-18(19-10)21-27(25,26)15-7-5-14(6-8-15)22-16(23)12(3)13(4)17(22)24/h5-9,12-13H,1-4H3,(H,19,20,21)
InChIKeyYZWNLQUJDGNLSF-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.04
Rot. Bonds4

About 4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 59680651) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID59680651
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)C(C)C(C)C3=O)cc2)n1
InChIInChI=1S/C18H20N4O4S/c1-10-9-11(2)20-18(19-10)21-27(25,26)15-7-5-14(6-8-15)22-16(23)12(3)13(4)17(22)24/h5-9,12-13H,1-4H3,(H,19,20,21)
InChIKeyYZWNLQUJDGNLSF-UHFFFAOYSA-N
XLogP2.04
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzenesulfonamide
CID 98165016
N-(4,6-dimethylpyrimidin-2-yl)-4-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzenesulfonamide
CID 124712071
4-[3-(2-aminoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 43860663
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
4-(cyanomethyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 79186466
N-(4,6-dimethylpyrimidin-2-yl)-4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide
CID 127049212
N-(4,6-dimethylpyrimidin-2-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 30055222
4-(diethylphosphorylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 134111248
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 59680651) is 4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)C(C)C(C)C3=O)cc2)n1.
What is the InChIKey of 4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is YZWNLQUJDGNLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-10-9-11(2)20-18(19-10)21-27(25,26)15-7-5-14(6-8-15)22-16(23)12(3)13(4)17(22)24/h5-9,12-13H,1-4H3,(H,19,20,21).
What are the key properties of 4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 59680651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).