4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide

C20H18N2O7S — CID 129354958

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2ccco2)cc1
InChIInChI=1S/C20H18N2O7S/c23-18-7-8-19(24)22(18)15-3-5-16(6-4-15)30(26,27)21-13-20(25,14-9-11-28-12-14)17-2-1-10-29-17/h1-6,9-12,21,25H,7-8,13H2/t20-/m0/s1
InChIKeyQBGVLVUGWFNMHJ-FQEVSTJZSA-N
MW430.44 g/mol
LogP1.74
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide (PubChem CID 129354958) has the molecular formula C20H18N2O7S and a molecular weight of 430.44 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide
PubChem CID129354958
Molecular FormulaC20H18N2O7S
Molecular Weight430.44 g/mol
Exact Mass430.08
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2ccco2)cc1
InChIInChI=1S/C20H18N2O7S/c23-18-7-8-19(24)22(18)15-3-5-16(6-4-15)30(26,27)21-13-20(25,14-9-11-28-12-14)17-2-1-10-29-17/h1-6,9-12,21,25H,7-8,13H2/t20-/m0/s1
InChIKeyQBGVLVUGWFNMHJ-FQEVSTJZSA-N
XLogP1.74
TPSA130.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide
CID 119101083
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide
CID 129354602
N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 129355075
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 124891780
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 119101056
4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(furan-3-yl)phenyl]methyl]benzenesulfonamide
CID 126855012
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 124892244
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 95983765
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 124760151
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 119101141
N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 110398487
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide
CID 126854085

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide (CID 129354958) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2ccco2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide?
The InChIKey is QBGVLVUGWFNMHJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18N2O7S/c23-18-7-8-19(24)22(18)15-3-5-16(6-4-15)30(26,27)21-13-20(25,14-9-11-28-12-14)17-2-1-10-29-17/h1-6,9-12,21,25H,7-8,13H2/t20-/m0/s1.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide has a molecular weight of 430.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide is sourced from PubChem (CID 129354958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).