4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide

C20H22N2O7S — CID 100540260

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O7S/c1-27-16-10-13(11-17(28-2)20(16)29-3)12-21-30(25,26)15-6-4-14(5-7-15)22-18(23)8-9-19(22)24/h4-7,10-11,21H,8-9,12H2,1-3H3
InChIKeyZMUALMFNGKPQDT-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.84
Rot. Bonds8

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

4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 100540260) has the molecular formula C20H22N2O7S and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID100540260
Molecular FormulaC20H22N2O7S
Molecular Weight434.47 g/mol
Exact Mass434.11
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O7S/c1-27-16-10-13(11-17(28-2)20(16)29-3)12-21-30(25,26)15-6-4-14(5-7-15)22-18(23)8-9-19(22)24/h4-7,10-11,21H,8-9,12H2,1-3H3
InChIKeyZMUALMFNGKPQDT-UHFFFAOYSA-N
XLogP1.84
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 146022846
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100556461
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122252851
N-[[4-(dimethylamino)phenyl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100541305
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 22695567
N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122246941
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 47087762
4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(furan-3-yl)phenyl]methyl]benzenesulfonamide
CID 126855012
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625724
N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 873017
N-[(2-chlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695558
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383196

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide (CID 100540260) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide is COc1cc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is ZMUALMFNGKPQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S/c1-27-16-10-13(11-17(28-2)20(16)29-3)12-21-30(25,26)15-6-4-14(5-7-15)22-18(23)8-9-19(22)24/h4-7,10-11,21H,8-9,12H2,1-3H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 434.47 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 100540260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).