5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide

C16H15N3O3S2 — CID 20923041

IUPAC5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCCc3ccccc3)s2)n[nH]1
InChIInChI=1S/C16H15N3O3S2/c20-15-8-6-13(18-19-15)14-7-9-16(23-14)24(21,22)17-11-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,19,20)
InChIKeyXQLQAPGLOLJQGR-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.02
Rot. Bonds6

About 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide

5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide (PubChem CID 20923041) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
PubChem CID20923041
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCCc3ccccc3)s2)n[nH]1
InChIInChI=1S/C16H15N3O3S2/c20-15-8-6-13(18-19-15)14-7-9-16(23-14)24(21,22)17-11-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,19,20)
InChIKeyXQLQAPGLOLJQGR-UHFFFAOYSA-N
XLogP2.02
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-({1-[(2-Fluorophenyl)methyl]piperidin-4-YL}methyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939843
N-[(3-Methylphenyl)methyl]-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939845
N~2~-Benzyl-N~2~-[2-(dimethylamino)ethyl]-5-(6-oxo-1,6-dihydro-3-pyridazinyl)-2-thiophenesulfonamide
CID 20939787
N-({1-[(4-Methylphenyl)methyl]piperidin-4-YL}methyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939815
N-[(3-Bromophenyl)methyl]-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939844
N-({1-[(3-Fluorophenyl)methyl]piperidin-4-YL}methyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939852
5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide
CID 20970046
5-ethyl-N-{3-[3-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}thiophene-2-sulfonamide
CID 25881960
N-(3-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)propyl)thiophene-2-sulfonamide
CID 42138872
N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 6624608
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-2-phenylethanesulfonamide
CID 16905827
N-[2-(cyclohexen-1-yl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20922994

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide (CID 20923041) is 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NCCc3ccccc3)s2)n[nH]1.
What is the InChIKey of 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide?
The InChIKey is XQLQAPGLOLJQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c20-15-8-6-13(18-19-15)14-7-9-16(23-14)24(21,22)17-11-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,19,20).
What are the key properties of 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide?
5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide has a molecular weight of 361.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).