4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide

C14H18N4O6S2 — CID 121160578

IUPAC4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1
InChIInChI=1S/C14H18N4O6S2/c15-25(21,22)11-1-3-12(4-2-11)26(23,24)17-7-5-10(6-8-17)18-13(19)9-16-14(18)20/h1-4,10H,5-9H2,(H,16,20)(H2,15,21,22)
InChIKeyJDDBQDCOGCYRTL-UHFFFAOYSA-N
MW402.45 g/mol
LogP-0.96
Rot. Bonds4

About 4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide

4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 121160578) has the molecular formula C14H18N4O6S2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID121160578
Molecular FormulaC14H18N4O6S2
Molecular Weight402.45 g/mol
Exact Mass402.07
IUPAC Name4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1
InChIInChI=1S/C14H18N4O6S2/c15-25(21,22)11-1-3-12(4-2-11)26(23,24)17-7-5-10(6-8-17)18-13(19)9-16-14(18)20/h1-4,10H,5-9H2,(H,16,20)(H2,15,21,22)
InChIKeyJDDBQDCOGCYRTL-UHFFFAOYSA-N
XLogP-0.96
TPSA146.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160129
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541
4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121156835
3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160139
3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160142
3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160518
3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159644
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160525
3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160153
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 55434574

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of 4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 121160578) is 4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for 4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1.
What is the InChIKey of 4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is JDDBQDCOGCYRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O6S2/c15-25(21,22)11-1-3-12(4-2-11)26(23,24)17-7-5-10(6-8-17)18-13(19)9-16-14(18)20/h1-4,10H,5-9H2,(H,16,20)(H2,15,21,22).
What are the key properties of 4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 402.45 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 121160578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).