N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide

C21H24N2O5S — CID 168878182

IUPACN-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H24N2O5S/c1-28-16-10-12-17(13-11-16)29(26,27)22-14-6-2-3-7-15-23-20(24)18-8-4-5-9-19(18)21(23)25/h4-5,8-13,22H,2-3,6-7,14-15H2,1H3
InChIKeyBCUKDFZCXIPKHV-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.83
Rot. Bonds10

About N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide

N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide (PubChem CID 168878182) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
PubChem CID168878182
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H24N2O5S/c1-28-16-10-12-17(13-11-16)29(26,27)22-14-6-2-3-7-15-23-20(24)18-8-4-5-9-19(18)21(23)25/h4-5,8-13,22H,2-3,6-7,14-15H2,1H3
InChIKeyBCUKDFZCXIPKHV-UHFFFAOYSA-N
XLogP2.83
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide 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-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 113082397
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-methoxyphenyl)phosphanium
CID 70693782
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108889568
3-(1,3-dioxoisoindol-2-yl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108572147
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574022
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide
CID 113083500
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide
CID 19219104

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide (CID 168878182) is N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCCCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide?
The InChIKey is BCUKDFZCXIPKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-28-16-10-12-17(13-11-16)29(26,27)22-14-6-2-3-7-15-23-20(24)18-8-4-5-9-19(18)21(23)25/h4-5,8-13,22H,2-3,6-7,14-15H2,1H3.
What are the key properties of N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide?
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 168878182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).