N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide

C24H26N4O3S — CID 31565674

IUPACN-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C24H26N4O3S/c1-2-28(22-6-4-3-5-7-22)32(30,31)23-10-8-20(9-11-23)24(29)27-18-16-26(17-19-27)21-12-14-25-15-13-21/h3-15H,2,16-19H2,1H3
InChIKeyYOEFRRNQWREJOC-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.26
Rot. Bonds6

About N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide

N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 31565674) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID31565674
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C24H26N4O3S/c1-2-28(22-6-4-3-5-7-22)32(30,31)23-10-8-20(9-11-23)24(29)27-18-16-26(17-19-27)21-12-14-25-15-13-21/h3-15H,2,16-19H2,1H3
InChIKeyYOEFRRNQWREJOC-UHFFFAOYSA-N
XLogP3.26
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)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-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 2471505
6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 167784135
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 26009023
4-(3,5-dimethylpiperidine-1-carbonyl)-N-ethyl-N-phenylbenzenesulfonamide
CID 17479841
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
4-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 43982079
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713
6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 9228437
N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 132658407

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 31565674) is N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is YOEFRRNQWREJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-2-28(22-6-4-3-5-7-22)32(30,31)23-10-8-20(9-11-23)24(29)27-18-16-26(17-19-27)21-12-14-25-15-13-21/h3-15H,2,16-19H2,1H3.
What are the key properties of N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 31565674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).