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

C20H23N5O4S — CID 122299921

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cn2)CC1
InChIInChI=1S/C20H23N5O4S/c1-14-8-10-24(11-9-14)20-21-12-15(13-22-20)23-30(28,29)17-4-2-16(3-5-17)25-18(26)6-7-19(25)27/h2-5,12-14,23H,6-11H2,1H3
InChIKeyOZLNLBRYSXDCKO-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.17
Rot. Bonds5

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

4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide (PubChem CID 122299921) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
PubChem CID122299921
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cn2)CC1
InChIInChI=1S/C20H23N5O4S/c1-14-8-10-24(11-9-14)20-21-12-15(13-22-20)23-30(28,29)17-4-2-16(3-5-17)25-18(26)6-7-19(25)27/h2-5,12-14,23H,6-11H2,1H3
InChIKeyOZLNLBRYSXDCKO-UHFFFAOYSA-N
XLogP2.17
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide
CID 122299656
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302540
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide
CID 122299894
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299914
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
4-bromo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298412
4-iodo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298411
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide
CID 122299890
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299666
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide
CID 122299683

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide (CID 122299921) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide is CC1CCN(c2ncc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cn2)CC1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The InChIKey is OZLNLBRYSXDCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-14-8-10-24(11-9-14)20-21-12-15(13-22-20)23-30(28,29)17-4-2-16(3-5-17)25-18(26)6-7-19(25)27/h2-5,12-14,23H,6-11H2,1H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 122299921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).