6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide

C19H20F2N4O2S — CID 133453619

IUPAC6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
SMILESC#CCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CC1
InChIInChI=1S/C19H20F2N4O2S/c1-2-3-8-24-9-11-25(12-10-24)19-7-5-16(14-22-19)28(26,27)23-15-4-6-17(20)18(21)13-15/h1,4-7,13-14,23H,3,8-12H2
InChIKeyMOIRZWUAGSBHPZ-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.31
Rot. Bonds6

About 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide

6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide (PubChem CID 133453619) has the molecular formula C19H20F2N4O2S and a molecular weight of 406.46 g/mol. Its IUPAC name is 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
PubChem CID133453619
Molecular FormulaC19H20F2N4O2S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
SMILESC#CCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CC1
InChIInChI=1S/C19H20F2N4O2S/c1-2-3-8-24-9-11-25(12-10-24)19-7-5-16(14-22-19)28(26,27)23-15-4-6-17(20)18(21)13-15/h1,4-7,13-14,23H,3,8-12H2
InChIKeyMOIRZWUAGSBHPZ-UHFFFAOYSA-N
XLogP2.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide (CID 133453619) is 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide is C#CCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CC1.
What is the InChIKey of 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
The InChIKey is MOIRZWUAGSBHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2S/c1-2-3-8-24-9-11-25(12-10-24)19-7-5-16(14-22-19)28(26,27)23-15-4-6-17(20)18(21)13-15/h1,4-7,13-14,23H,3,8-12H2.
What are the key properties of 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide has a molecular weight of 406.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 133453619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).