N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide

C14H19N3O4S — CID 2992109

IUPACN-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C14H19N3O4S/c1-20-12-4-5-13(21-2)14(10-12)22(18,19)16-6-3-8-17-9-7-15-11-17/h4-5,7,9-11,16H,3,6,8H2,1-2H3
InChIKeyVCERYMAXBIWURT-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.27
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide

N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 2992109) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID2992109
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C14H19N3O4S/c1-20-12-4-5-13(21-2)14(10-12)22(18,19)16-6-3-8-17-9-7-15-11-17/h4-5,7,9-11,16H,3,6,8H2,1-2H3
InChIKeyVCERYMAXBIWURT-UHFFFAOYSA-N
XLogP1.27
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide 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-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide (CID 2992109) is N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is VCERYMAXBIWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-20-12-4-5-13(21-2)14(10-12)22(18,19)16-6-3-8-17-9-7-15-11-17/h4-5,7,9-11,16H,3,6,8H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide?
N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2992109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).