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

C17H18N4O3S2 — CID 42142683

IUPAC5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)ccc2=O)s1
InChIInChI=1S/C17H18N4O3S2/c1-2-14-5-8-17(25-14)26(23,24)19-10-11-21-16(22)7-6-15(20-21)13-4-3-9-18-12-13/h3-9,12,19H,2,10-11H2,1H3
InChIKeyWPPNZSVLVGLQJC-UHFFFAOYSA-N
MW390.49 g/mol
LogP1.91
Rot. Bonds7

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

5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 42142683) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID42142683
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)ccc2=O)s1
InChIInChI=1S/C17H18N4O3S2/c1-2-14-5-8-17(25-14)26(23,24)19-10-11-21-16(22)7-6-15(20-21)13-4-3-9-18-12-13/h3-9,12,19H,2,10-11H2,1H3
InChIKeyWPPNZSVLVGLQJC-UHFFFAOYSA-N
XLogP1.91
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 42142683) is 5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)ccc2=O)s1.
What is the InChIKey of 5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is WPPNZSVLVGLQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-2-14-5-8-17(25-14)26(23,24)19-10-11-21-16(22)7-6-15(20-21)13-4-3-9-18-12-13/h3-9,12,19H,2,10-11H2,1H3.
What are the key properties of 5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 390.49 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42142683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).