N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide

C22H22N4O3S — CID 15383140

IUPACN-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCCCCOc1ccc(-n2ccnc2)cc1)c1cccc2cccnc12
InChIInChI=1S/C22H22N4O3S/c27-30(28,21-7-3-5-18-6-4-12-24-22(18)21)25-13-1-2-16-29-20-10-8-19(9-11-20)26-15-14-23-17-26/h3-12,14-15,17,25H,1-2,13,16H2
InChIKeySTDYXNYZVIPYPC-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.56
Rot. Bonds9

About N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide

N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide (PubChem CID 15383140) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide
PubChem CID15383140
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCCCCOc1ccc(-n2ccnc2)cc1)c1cccc2cccnc12
InChIInChI=1S/C22H22N4O3S/c27-30(28,21-7-3-5-18-6-4-12-24-22(18)21)25-13-1-2-16-29-20-10-8-19(9-11-20)26-15-14-23-17-26/h3-12,14-15,17,25H,1-2,13,16H2
InChIKeySTDYXNYZVIPYPC-UHFFFAOYSA-N
XLogP3.56
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide (CID 15383140) is N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide is O=S(=O)(NCCCCOc1ccc(-n2ccnc2)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide?
The InChIKey is STDYXNYZVIPYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c27-30(28,21-7-3-5-18-6-4-12-24-22(18)21)25-13-1-2-16-29-20-10-8-19(9-11-20)26-15-14-23-17-26/h3-12,14-15,17,25H,1-2,13,16H2.
What are the key properties of N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide?
N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide has a molecular weight of 422.51 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-imidazol-1-ylphenoxy)butyl]quinoline-8-sulfonamide is sourced from PubChem (CID 15383140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).