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

C22H32N2O4S — CID 146022850

IUPACN-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C22H32N2O4S/c25-21-16-17-22(26)24(21)19-12-14-20(15-13-19)29(27,28)23-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-15,18,23H,1-11,16-17H2
InChIKeyOKIXUMIDKAROQM-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.29
Rot. Bonds4

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

N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 146022850) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID146022850
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C22H32N2O4S/c25-21-16-17-22(26)24(21)19-12-14-20(15-13-19)29(27,28)23-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-15,18,23H,1-11,16-17H2
InChIKeyOKIXUMIDKAROQM-UHFFFAOYSA-N
XLogP4.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)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

N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide
CID 17139394
N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 146711957
N-cyclopentyloxy-4-(2,6-dioxopiperidin-1-yl)benzenesulfonamide
CID 110666980
N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100608093
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 146022850) is N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC2CCCCCCCCCCC2)cc1.
What is the InChIKey of N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is OKIXUMIDKAROQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c25-21-16-17-22(26)24(21)19-12-14-20(15-13-19)29(27,28)23-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-15,18,23H,1-11,16-17H2.
What are the key properties of N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 420.58 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 146022850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).