N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

C16H20N2O6S — CID 110398487

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC2OCCCO2)cc1
InChIInChI=1S/C16H20N2O6S/c19-14-6-7-15(20)18(14)12-2-4-13(5-3-12)25(21,22)17-9-8-16-23-10-1-11-24-16/h2-5,16-17H,1,6-11H2
InChIKeyRBKPECFVRWYPSX-UHFFFAOYSA-N
MW368.41 g/mol
LogP0.77
Rot. Bonds6

About N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 110398487) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID110398487
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC2OCCCO2)cc1
InChIInChI=1S/C16H20N2O6S/c19-14-6-7-15(20)18(14)12-2-4-13(5-3-12)25(21,22)17-9-8-16-23-10-1-11-24-16/h2-5,16-17H,1,6-11H2
InChIKeyRBKPECFVRWYPSX-UHFFFAOYSA-N
XLogP0.77
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 50.77
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-[2-(1,3-dioxan-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370149
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
CID 86266685
N-[2-(1,3-dioxan-2-yl)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110370188
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 22695565
N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110398488
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 100539839
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 110370165
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415642
N-[2-(N,4-dimethylanilino)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100540805
N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110398472

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 110398487) is N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC2OCCCO2)cc1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is RBKPECFVRWYPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c19-14-6-7-15(20)18(14)12-2-4-13(5-3-12)25(21,22)17-9-8-16-23-10-1-11-24-16/h2-5,16-17H,1,6-11H2.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 368.41 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110398487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).