N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide

C18H23FN4O2S — CID 164621593

IUPACN-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1
InChIInChI=1S/C18H23FN4O2S/c1-2-12-26(24,25)22-18-9-8-16(20-21-18)15-7-6-14(19)13-17(15)23-10-4-3-5-11-23/h6-9,13H,2-5,10-12H2,1H3,(H,21,22)
InChIKeyHPPLHBZPGWFTAK-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.42
Rot. Bonds6

About N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide

N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide (PubChem CID 164621593) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide
PubChem CID164621593
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC NameN-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1
InChIInChI=1S/C18H23FN4O2S/c1-2-12-26(24,25)22-18-9-8-16(20-21-18)15-7-6-14(19)13-17(15)23-10-4-3-5-11-23/h6-9,13H,2-5,10-12H2,1H3,(H,21,22)
InChIKeyHPPLHBZPGWFTAK-UHFFFAOYSA-N
XLogP3.42
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide (CID 164621593) is N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1.
What is the InChIKey of N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide?
The InChIKey is HPPLHBZPGWFTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-2-12-26(24,25)22-18-9-8-16(20-21-18)15-7-6-14(19)13-17(15)23-10-4-3-5-11-23/h6-9,13H,2-5,10-12H2,1H3,(H,21,22).
What are the key properties of N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide?
N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide has a molecular weight of 378.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 164621593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).