5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide

C16H16N4O3S2 — CID 42142711

IUPAC5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)ccc2=O)s1
InChIInChI=1S/C16H16N4O3S2/c1-12-4-7-16(24-12)25(22,23)18-9-10-20-15(21)6-5-14(19-20)13-3-2-8-17-11-13/h2-8,11,18H,9-10H2,1H3
InChIKeyFHVYGWNRQXPLNS-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.65
Rot. Bonds6

About 5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 42142711) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID42142711
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)ccc2=O)s1
InChIInChI=1S/C16H16N4O3S2/c1-12-4-7-16(24-12)25(22,23)18-9-10-20-15(21)6-5-14(19-20)13-3-2-8-17-11-13/h2-8,11,18H,9-10H2,1H3
InChIKeyFHVYGWNRQXPLNS-UHFFFAOYSA-N
XLogP1.65
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 42142711) is 5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)ccc2=O)s1.
What is the InChIKey of 5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is FHVYGWNRQXPLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-12-4-7-16(24-12)25(22,23)18-9-10-20-15(21)6-5-14(19-20)13-3-2-8-17-11-13/h2-8,11,18H,9-10H2,1H3.
What are the key properties of 5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 376.46 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42142711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).