4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide

C14H17N3O7S2 — CID 121156835

IUPAC4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1
InChIInChI=1S/C14H17N3O7S2/c15-25(20,21)11-1-3-12(4-2-11)26(22,23)16-7-5-10(6-8-16)17-13(18)9-24-14(17)19/h1-4,10H,5-9H2,(H2,15,20,21)
InChIKeyJIMJONSSLFWUAA-UHFFFAOYSA-N
MW403.44 g/mol
LogP-0.53
Rot. Bonds4

About 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide

4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 121156835) has the molecular formula C14H17N3O7S2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID121156835
Molecular FormulaC14H17N3O7S2
Molecular Weight403.44 g/mol
Exact Mass403.05
IUPAC Name4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1
InChIInChI=1S/C14H17N3O7S2/c15-25(20,21)11-1-3-12(4-2-11)26(22,23)16-7-5-10(6-8-16)17-13(18)9-24-14(17)19/h1-4,10H,5-9H2,(H2,15,20,21)
InChIKeyJIMJONSSLFWUAA-UHFFFAOYSA-N
XLogP-0.53
TPSA144.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 121156835) is 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1.
What is the InChIKey of 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is JIMJONSSLFWUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O7S2/c15-25(20,21)11-1-3-12(4-2-11)26(22,23)16-7-5-10(6-8-16)17-13(18)9-24-14(17)19/h1-4,10H,5-9H2,(H2,15,20,21).
What are the key properties of 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 403.44 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 121156835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).