4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide

C22H16ClN3O5S — CID 23942870

IUPAC4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(N2C(=O)CC(N(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C22H16ClN3O5S/c23-16-5-9-19(10-6-16)32(29,30)25(14-18-2-1-11-31-18)20-12-21(27)26(22(20)28)17-7-3-15(13-24)4-8-17/h1-11,20H,12,14H2
InChIKeyUMSYEABIZFVYTB-UHFFFAOYSA-N
MW469.91 g/mol
LogP3.33
Rot. Bonds6

About 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide

4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 23942870) has the molecular formula C22H16ClN3O5S and a molecular weight of 469.91 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID23942870
Molecular FormulaC22H16ClN3O5S
Molecular Weight469.91 g/mol
Exact Mass469.05
IUPAC Name4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(N2C(=O)CC(N(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C22H16ClN3O5S/c23-16-5-9-19(10-6-16)32(29,30)25(14-18-2-1-11-31-18)20-12-21(27)26(22(20)28)17-7-3-15(13-24)4-8-17/h1-11,20H,12,14H2
InChIKeyUMSYEABIZFVYTB-UHFFFAOYSA-N
XLogP3.33
TPSA111.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.91
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 23886856
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 23743564
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 23998468
N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743595
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
CID 23859050
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23743625
4-[3-[benzyl-(4-chlorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25038329
4-bromo-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 23886826
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23970801
N-[2-(3-chlorophenyl)ethyl]-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 23830691
4-bromo-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23998599
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-3-nitrobenzamide
CID 23774475

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide (CID 23942870) is 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide is N#Cc1ccc(N2C(=O)CC(N(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is UMSYEABIZFVYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O5S/c23-16-5-9-19(10-6-16)32(29,30)25(14-18-2-1-11-31-18)20-12-21(27)26(22(20)28)17-7-3-15(13-24)4-8-17/h1-11,20H,12,14H2.
What are the key properties of 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide?
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 469.91 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 23942870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).