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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Related Compounds

3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 9270121
3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 9076969
N-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-3-YL]piperidin-4-YL}-3,4-difluorobenzene-1-sulfonamide
CID 124038393
2-Fluoro-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-YL)piperidin-4-YL]benzene-1-sulfonamide
CID 124078140
N-(3-(6-oxopyridazin-1(6H)-yl)propyl)benzenesulfonamide
CID 30860710
6-[4-(Benzenesulfonyl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 16235641
6-[4-(3-Fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 38515350
6-(4-((4-fluorophenyl)sulfonyl)piperazine-1-carbonyl)pyridazin-3(2H)-one
CID 2044161
6-[4-(4-Fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 7921517
6-[4-(2,6-Difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 8897923
6-[4-(2-Fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 8925278
3-[4-(2,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 9268780

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).