4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide

C19H24Cl2N4O3S — CID 55895359

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCC1CCCN(CCCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)C1
InChIInChI=1S/C19H24Cl2N4O3S/c1-14-4-2-10-24(13-14)11-3-9-23-29(27,28)16-7-5-15(6-8-16)25-19(26)18(21)17(20)12-22-25/h5-8,12,14,23H,2-4,9-11,13H2,1H3
InChIKeyRJALFWQOPNJIBR-UHFFFAOYSA-N
MW459.40 g/mol
LogP2.94
Rot. Bonds7

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 55895359) has the molecular formula C19H24Cl2N4O3S and a molecular weight of 459.40 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID55895359
Molecular FormulaC19H24Cl2N4O3S
Molecular Weight459.40 g/mol
Exact Mass458.09
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCC1CCCN(CCCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)C1
InChIInChI=1S/C19H24Cl2N4O3S/c1-14-4-2-10-24(13-14)11-3-9-23-29(27,28)16-7-5-15(6-8-16)25-19(26)18(21)17(20)12-22-25/h5-8,12,14,23H,2-4,9-11,13H2,1H3
InChIKeyRJALFWQOPNJIBR-UHFFFAOYSA-N
XLogP2.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55681994
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 55559930
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 37309220
ethyl 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]butanoate
CID 43053510
4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
3-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100721189
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide
CID 46556556
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 99812285

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide (CID 55895359) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide is CC1CCCN(CCCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)C1.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is RJALFWQOPNJIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O3S/c1-14-4-2-10-24(13-14)11-3-9-23-29(27,28)16-7-5-15(6-8-16)25-19(26)18(21)17(20)12-22-25/h5-8,12,14,23H,2-4,9-11,13H2,1H3.
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide?
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 459.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 55895359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).