4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide

C18H24N2O6S — CID 86266685

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC(O)C2CCOCC2)cc1
InChIInChI=1S/C18H24N2O6S/c21-16(13-8-11-26-12-9-13)7-10-19-27(24,25)15-3-1-14(2-4-15)20-17(22)5-6-18(20)23/h1-4,13,16,19,21H,5-12H2
InChIKeyAHSYHICVGPYICI-UHFFFAOYSA-N
MW396.47 g/mol
LogP0.80
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide (PubChem CID 86266685) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
PubChem CID86266685
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC(O)C2CCOCC2)cc1
InChIInChI=1S/C18H24N2O6S/c21-16(13-8-11-26-12-9-13)7-10-19-27(24,25)15-3-1-14(2-4-15)20-17(22)5-6-18(20)23/h1-4,13,16,19,21H,5-12H2
InChIKeyAHSYHICVGPYICI-UHFFFAOYSA-N
XLogP0.80
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 86266682
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide
CID 99996999
N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 110398487
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide
CID 99997051
3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide
CID 99996993
4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide
CID 126854037
N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide
CID 71787498
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 22695565
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122328122
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 100539839
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
CID 133164771
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide (CID 86266685) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC(O)C2CCOCC2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide?
The InChIKey is AHSYHICVGPYICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c21-16(13-8-11-26-12-9-13)7-10-19-27(24,25)15-3-1-14(2-4-15)20-17(22)5-6-18(20)23/h1-4,13,16,19,21H,5-12H2.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 86266685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).