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

C22H20ClN3O4S — CID 23859050

IUPAC4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
SMILESN#Cc1ccc(N2C(=O)CC(N(C3CCCC3)S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C22H20ClN3O4S/c23-16-7-11-19(12-8-16)31(29,30)26(18-3-1-2-4-18)20-13-21(27)25(22(20)28)17-9-5-15(14-24)6-10-17/h5-12,18,20H,1-4,13H2
InChIKeyXJRGPTQZZMLZFZ-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.48
Rot. Bonds5

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

4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide (PubChem CID 23859050) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
PubChem CID23859050
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
SMILESN#Cc1ccc(N2C(=O)CC(N(C3CCCC3)S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C22H20ClN3O4S/c23-16-7-11-19(12-8-16)31(29,30)26(18-3-1-2-4-18)20-13-21(27)25(22(20)28)17-9-5-15(14-24)6-10-17/h5-12,18,20H,1-4,13H2
InChIKeyXJRGPTQZZMLZFZ-UHFFFAOYSA-N
XLogP3.48
TPSA98.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide 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

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
CID 23801871
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 23886844
N-cyclohexyl-4-fluoro-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23942728
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 23886856
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 23942870
N-cyclopropyl-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23970823
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzenesulfonamide
CID 23914964
N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 23830750
N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23970773
4-bromo-N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23914944
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23802000
N-[4-[3-[benzenesulfonyl(cyclopentyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743588

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide (CID 23859050) is 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide is N#Cc1ccc(N2C(=O)CC(N(C3CCCC3)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-cyclopentylbenzenesulfonamide?
The InChIKey is XJRGPTQZZMLZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c23-16-7-11-19(12-8-16)31(29,30)26(18-3-1-2-4-18)20-13-21(27)25(22(20)28)17-9-5-15(14-24)6-10-17/h5-12,18,20H,1-4,13H2.
What are the key properties of 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide?
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide has a molecular weight of 457.94 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide is sourced from PubChem (CID 23859050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).