N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide

C18H19N3O3S2 — CID 42138852

IUPACN-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide
SMILESCc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3cccs3)n2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-14-5-7-15(8-6-14)16-9-10-17(22)21(20-16)12-3-11-19-26(23,24)18-4-2-13-25-18/h2,4-10,13,19H,3,11-12H2,1H3
InChIKeyVNEYDMYUCLIYEQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.65
Rot. Bonds7

About N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide

N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide (PubChem CID 42138852) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide
PubChem CID42138852
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide
SMILESCc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3cccs3)n2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-14-5-7-15(8-6-14)16-9-10-17(22)21(20-16)12-3-11-19-26(23,24)18-4-2-13-25-18/h2,4-10,13,19H,3,11-12H2,1H3
InChIKeyVNEYDMYUCLIYEQ-UHFFFAOYSA-N
XLogP2.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.65
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

N-({1-[(4-Methylphenyl)methyl]piperidin-4-YL}methyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939815
N-(3-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)propyl)-3-(trifluoromethyl)benzenesulfonamide
CID 25882031
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 16905805
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 16905819
5-ethyl-N-{3-[3-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}thiophene-2-sulfonamide
CID 25881960
5-chloro-N-{3-[3-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}thiophene-2-sulfonamide
CID 25881962
2-fluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882023
4-fluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882024
2,5-difluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882025
N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}-2-(trifluoromethyl)benzene-1-sulfonamide
CID 25882032
5-chloro-N-(3-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)propyl)thiophene-2-sulfonamide
CID 42138856
N-(3-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)propyl)thiophene-2-sulfonamide
CID 42138872

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide (CID 42138852) is N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide is Cc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3cccs3)n2)cc1.
What is the InChIKey of N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide?
The InChIKey is VNEYDMYUCLIYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-14-5-7-15(8-6-14)16-9-10-17(22)21(20-16)12-3-11-19-26(23,24)18-4-2-13-25-18/h2,4-10,13,19H,3,11-12H2,1H3.
What are the key properties of N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide?
N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide has a molecular weight of 389.50 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42138852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).