6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide

C19H24N4O3S — CID 4816070

IUPAC6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(C(C)=O)CC2)nc1
InChIInChI=1S/C19H24N4O3S/c1-3-23(17-7-5-4-6-8-17)27(25,26)18-9-10-19(20-15-18)22-13-11-21(12-14-22)16(2)24/h4-10,15H,3,11-14H2,1-2H3
InChIKeyQXGLLHMUHRQTMA-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.97
Rot. Bonds5

About 6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide

6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 4816070) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID4816070
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(C(C)=O)CC2)nc1
InChIInChI=1S/C19H24N4O3S/c1-3-23(17-7-5-4-6-8-17)27(25,26)18-9-10-19(20-15-18)22-13-11-21(12-14-22)16(2)24/h4-10,15H,3,11-14H2,1-2H3
InChIKeyQXGLLHMUHRQTMA-UHFFFAOYSA-N
XLogP1.97
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 52694397
1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]piperidine-4-carboxamide
CID 4816078
N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 60504570
6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 167784135
N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 71867437
6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
CID 4878483
N-ethyl-6-[2-(furan-2-yl)morpholin-4-yl]-N-phenylpyridine-3-sulfonamide
CID 133347267
N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31565674
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 118526949

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 4816070) is 6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(C(C)=O)CC2)nc1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is QXGLLHMUHRQTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-3-23(17-7-5-4-6-8-17)27(25,26)18-9-10-19(20-15-18)22-13-11-21(12-14-22)16(2)24/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 4816070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).