4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide

C18H22N4O4S — CID 113011203

IUPAC4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)cc1
InChIInChI=1S/C18H22N4O4S/c1-2-26-16-4-6-17(7-5-16)27(24,25)20-15-3-8-18(19-13-15)22-11-9-21(14-23)10-12-22/h3-8,13-14,20H,2,9-12H2,1H3
InChIKeyCMQLFOQGIWVLLG-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.56
Rot. Bonds7

About 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide

4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 113011203) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID113011203
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)cc1
InChIInChI=1S/C18H22N4O4S/c1-2-26-16-4-6-17(7-5-16)27(24,25)20-15-3-8-18(19-13-15)22-11-9-21(14-23)10-12-22/h3-8,13-14,20H,2,9-12H2,1H3
InChIKeyCMQLFOQGIWVLLG-UHFFFAOYSA-N
XLogP1.56
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]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-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113011180
4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011184
4-fluoro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011178
2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011206
4-ethyl-N-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide;hydrochloride
CID 69172168
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
N-[6-(azepan-1-yl)-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113015975
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 113011103
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 46298271
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 42850219

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide (CID 113011203) is 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)cc1.
What is the InChIKey of 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is CMQLFOQGIWVLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-2-26-16-4-6-17(7-5-16)27(24,25)20-15-3-8-18(19-13-15)22-11-9-21(14-23)10-12-22/h3-8,13-14,20H,2,9-12H2,1H3.
What are the key properties of 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113011203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).