N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide

C19H24N4O4S — CID 33161659

IUPACN-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCCCn1nc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C19H24N4O4S/c1-2-12-23-18(24)9-8-17(20-23)19(25)22-13-10-15(11-14-22)21-28(26,27)16-6-4-3-5-7-16/h3-9,15,21H,2,10-14H2,1H3
InChIKeyFXLBIBVWTMUOKI-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.24
Rot. Bonds6

About N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide

N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 33161659) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID33161659
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCCCn1nc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C19H24N4O4S/c1-2-12-23-18(24)9-8-17(20-23)19(25)22-13-10-15(11-14-22)21-28(26,27)16-6-4-3-5-7-16/h3-9,15,21H,2,10-14H2,1H3
InChIKeyFXLBIBVWTMUOKI-UHFFFAOYSA-N
XLogP1.24
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 33161659) is N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide is CCCn1nc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)ccc1=O.
What is the InChIKey of N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is FXLBIBVWTMUOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-2-12-23-18(24)9-8-17(20-23)19(25)22-13-10-15(11-14-22)21-28(26,27)16-6-4-3-5-7-16/h3-9,15,21H,2,10-14H2,1H3.
What are the key properties of N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 33161659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).