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

C17H16FN3O3S2 — CID 42138872

IUPACN-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C17H16FN3O3S2/c18-14-6-4-13(5-7-14)15-8-9-16(22)21(20-15)11-2-10-19-26(23,24)17-3-1-12-25-17/h1,3-9,12,19H,2,10-11H2
InChIKeyWHEYOXUZWSOUMA-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.48
Rot. Bonds7

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

N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide (PubChem CID 42138872) has the molecular formula C17H16FN3O3S2 and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide
PubChem CID42138872
Molecular FormulaC17H16FN3O3S2
Molecular Weight393.47 g/mol
Exact Mass393.06
IUPAC NameN-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C17H16FN3O3S2/c18-14-6-4-13(5-7-14)15-8-9-16(22)21(20-15)11-2-10-19-26(23,24)17-3-1-12-25-17/h1,3-9,12,19H,2,10-11H2
InChIKeyWHEYOXUZWSOUMA-UHFFFAOYSA-N
XLogP2.48
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide (CID 42138872) is N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide is O=c1ccc(-c2ccc(F)cc2)nn1CCCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide?
The InChIKey is WHEYOXUZWSOUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S2/c18-14-6-4-13(5-7-14)15-8-9-16(22)21(20-15)11-2-10-19-26(23,24)17-3-1-12-25-17/h1,3-9,12,19H,2,10-11H2.
What are the key properties of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide?
N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 2.48, 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-fluorophenyl)-6-oxopyridazin-1-yl]propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42138872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).