N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

C17H19N5O4S — CID 122354462

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN(C)c1nccc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)n1
InChIInChI=1S/C17H19N5O4S/c1-21(2)17-18-10-9-12(20-17)11-19-27(25,26)14-5-3-13(4-6-14)22-15(23)7-8-16(22)24/h3-6,9-10,19H,7-8,11H2,1-2H3
InChIKeySLDWDZXMNNBWIM-UHFFFAOYSA-N
MW389.44 g/mol
LogP0.67
Rot. Bonds6

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 122354462) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID122354462
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN(C)c1nccc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)n1
InChIInChI=1S/C17H19N5O4S/c1-21(2)17-18-10-9-12(20-17)11-19-27(25,26)14-5-3-13(4-6-14)22-15(23)7-8-16(22)24/h3-6,9-10,19H,7-8,11H2,1-2H3
InChIKeySLDWDZXMNNBWIM-UHFFFAOYSA-N
XLogP0.67
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 122354462) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is CN(C)c1nccc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)n1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is SLDWDZXMNNBWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-21(2)17-18-10-9-12(20-17)11-19-27(25,26)14-5-3-13(4-6-14)22-15(23)7-8-16(22)24/h3-6,9-10,19H,7-8,11H2,1-2H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 389.44 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 122354462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).