4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide

C19H22N2O5S2 — CID 126854037

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC(CCO)c2ccsc2)cc1
InChIInChI=1S/C19H22N2O5S2/c22-11-8-14(15-9-12-27-13-15)7-10-20-28(25,26)17-3-1-16(2-4-17)21-18(23)5-6-19(21)24/h1-4,9,12-14,20,22H,5-8,10-11H2
InChIKeyACNWSHNQJHUMOJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.24
Rot. Bonds9

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide (PubChem CID 126854037) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide
PubChem CID126854037
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC(CCO)c2ccsc2)cc1
InChIInChI=1S/C19H22N2O5S2/c22-11-8-14(15-9-12-27-13-15)7-10-20-28(25,26)17-3-1-16(2-4-17)21-18(23)5-6-19(21)24/h1-4,9,12-14,20,22H,5-8,10-11H2
InChIKeyACNWSHNQJHUMOJ-UHFFFAOYSA-N
XLogP2.24
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.24
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-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 122160835
3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide
CID 122160833
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
CID 86266685
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide
CID 126854085
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 22695565
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 100539839
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-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625724
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 100540791
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
CID 133164771
N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 126854033
N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 126852200

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide (CID 126854037) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC(CCO)c2ccsc2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide?
The InChIKey is ACNWSHNQJHUMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c22-11-8-14(15-9-12-27-13-15)7-10-20-28(25,26)17-3-1-16(2-4-17)21-18(23)5-6-19(21)24/h1-4,9,12-14,20,22H,5-8,10-11H2.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide has a molecular weight of 422.53 g/mol, XLogP of 2.24, 9 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-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide is sourced from PubChem (CID 126854037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).