4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide

C16H16N4O3S2 — CID 53135040

IUPAC4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCCn1nc(-c2csc(S(=O)(=O)Nc3cccc(C)n3)c2)ccc1=O
InChIInChI=1S/C16H16N4O3S2/c1-3-20-15(21)8-7-13(18-20)12-9-16(24-10-12)25(22,23)19-14-6-4-5-11(2)17-14/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyAWXWMXHCTIRVNA-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.50
Rot. Bonds5

About 4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide

4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide (PubChem CID 53135040) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
PubChem CID53135040
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCCn1nc(-c2csc(S(=O)(=O)Nc3cccc(C)n3)c2)ccc1=O
InChIInChI=1S/C16H16N4O3S2/c1-3-20-15(21)8-7-13(18-20)12-9-16(24-10-12)25(22,23)19-14-6-4-5-11(2)17-14/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyAWXWMXHCTIRVNA-UHFFFAOYSA-N
XLogP2.50
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide (CID 53135040) is 4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide is CCn1nc(-c2csc(S(=O)(=O)Nc3cccc(C)n3)c2)ccc1=O.
What is the InChIKey of 4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is AWXWMXHCTIRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-3-20-15(21)8-7-13(18-20)12-9-16(24-10-12)25(22,23)19-14-6-4-5-11(2)17-14/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of 4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide?
4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 376.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53135040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).