N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C23H24N4O3S — CID 3244575

IUPACN-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H24N4O3S/c28-23(27-16-14-26(15-17-27)22-8-4-5-13-24-22)20-11-9-19(10-12-20)18-25-31(29,30)21-6-2-1-3-7-21/h1-13,25H,14-18H2
InChIKeyOGUHZBZEVODPDF-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.52
Rot. Bonds6

About N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide

N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3244575) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID3244575
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H24N4O3S/c28-23(27-16-14-26(15-17-27)22-8-4-5-13-24-22)20-11-9-19(10-12-20)18-25-31(29,30)21-6-2-1-3-7-21/h1-13,25H,14-18H2
InChIKeyOGUHZBZEVODPDF-UHFFFAOYSA-N
XLogP2.52
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 3244575) is N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide is O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is OGUHZBZEVODPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-23(27-16-14-26(15-17-27)22-8-4-5-13-24-22)20-11-9-19(10-12-20)18-25-31(29,30)21-6-2-1-3-7-21/h1-13,25H,14-18H2.
What are the key properties of N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3244575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).