4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide

C18H22N4O3S — CID 166184387

IUPAC4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide
SMILESC1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)N)C(=O)CCC3=CC=NC=C3
InChIInChI=1S/C18H22N4O3S/c19-26(24,25)17-4-2-16(3-5-17)21-11-13-22(14-12-21)18(23)6-1-15-7-9-20-10-8-15/h2-5,7-10H,1,6,11-14H2,(H2,19,24,25)
InChIKeyZYYMXIDKZIKGBR-UHFFFAOYSA-N
MW374.50 g/mol
LogP0.70
Rot. Bonds5

About 4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide

4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 166184387) has the molecular formula C18H22N4O3S and a molecular weight of 374.50 g/mol. Its IUPAC name is 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide
PubChem CID166184387
Molecular FormulaC18H22N4O3S
Molecular Weight374.50 g/mol
Exact Mass374.14
IUPAC Name4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide
SMILESC1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)N)C(=O)CCC3=CC=NC=C3
InChIInChI=1S/C18H22N4O3S/c19-26(24,25)17-4-2-16(3-5-17)21-11-13-22(14-12-21)18(23)6-1-15-7-9-20-10-8-15/h2-5,7-10H,1,6,11-14H2,(H2,19,24,25)
InChIKeyZYYMXIDKZIKGBR-UHFFFAOYSA-N
XLogP0.70
TPSA105.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity555

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide (CID 166184387) is 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide is C1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)N)C(=O)CCC3=CC=NC=C3.
What is the InChIKey of 4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is ZYYMXIDKZIKGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c19-26(24,25)17-4-2-16(3-5-17)21-11-13-22(14-12-21)18(23)6-1-15-7-9-20-10-8-15/h2-5,7-10H,1,6,11-14H2,(H2,19,24,25).
What are the key properties of 4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide?
4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 374.50 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-Pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 166184387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).