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

C13H11N3O3S3 — CID 46280129

IUPAC5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)n[nH]1
InChIInChI=1S/C13H11N3O3S3/c17-12-5-3-10(15-16-12)11-4-6-13(21-11)22(18,19)14-8-9-2-1-7-20-9/h1-7,14H,8H2,(H,16,17)
InChIKeyFFWCKANPCNEQFO-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.04
Rot. Bonds5

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

5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 46280129) has the molecular formula C13H11N3O3S3 and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID46280129
Molecular FormulaC13H11N3O3S3
Molecular Weight353.45 g/mol
Exact Mass353.00
IUPAC Name5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)n[nH]1
InChIInChI=1S/C13H11N3O3S3/c17-12-5-3-10(15-16-12)11-4-6-13(21-11)22(18,19)14-8-9-2-1-7-20-9/h1-7,14H,8H2,(H,16,17)
InChIKeyFFWCKANPCNEQFO-UHFFFAOYSA-N
XLogP2.04
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Methoxyethyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 20939862
N-Butyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 20939863
5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide
CID 20970046
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)thiophene-2-sulfonamide
CID 16905799
N-[2-(cyclohexen-1-yl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20922994
5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 20923041
N-butyl-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923054
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-[2-(pyrrolidin-1-YL)ethyl]thiophene-2-sulfonamide
CID 20939807
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-({1-[2-(thiophen-2-YL)ethyl]piperidin-4-YL}methyl)thiophene-2-sulfonamide
CID 20939857
N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 45106660
N-[(4-fluorophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923055

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 46280129) is 5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)n[nH]1.
What is the InChIKey of 5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is FFWCKANPCNEQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S3/c17-12-5-3-10(15-16-12)11-4-6-13(21-11)22(18,19)14-8-9-2-1-7-20-9/h1-7,14H,8H2,(H,16,17).
What are the key properties of 5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 353.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 46280129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).