4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide

C18H18N2O4S — CID 22695565

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O4S/c21-17-10-11-18(22)20(17)15-6-8-16(9-7-15)25(23,24)19-13-12-14-4-2-1-3-5-14/h1-9,19H,10-13H2
InChIKeyRECUSEDHGWGKIK-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.86
Rot. Bonds6

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 22695565) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID22695565
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O4S/c21-17-10-11-18(22)20(17)15-6-8-16(9-7-15)25(23,24)19-13-12-14-4-2-1-3-5-14/h1-9,19H,10-13H2
InChIKeyRECUSEDHGWGKIK-UHFFFAOYSA-N
XLogP1.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 100539839
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 22695567
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133164761
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 100540791
N-[(2-chlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695558
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415642
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(N-ethylanilino)propyl]benzenesulfonamide
CID 100540888
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 110398487
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide (CID 22695565) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is RECUSEDHGWGKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c21-17-10-11-18(22)20(17)15-6-8-16(9-7-15)25(23,24)19-13-12-14-4-2-1-3-5-14/h1-9,19H,10-13H2.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 22695565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).