2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide

C16H13F2N3O3S2 — CID 16905802

IUPAC2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O3S2/c17-11-3-5-15(12(18)10-11)26(23,24)19-7-8-21-16(22)6-4-13(20-21)14-2-1-9-25-14/h1-6,9-10,19H,7-8H2
InChIKeyXZHNWPGIMIKNQI-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.23
Rot. Bonds6

About 2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide

2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 16905802) has the molecular formula C16H13F2N3O3S2 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID16905802
Molecular FormulaC16H13F2N3O3S2
Molecular Weight397.43 g/mol
Exact Mass397.04
IUPAC Name2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O3S2/c17-11-3-5-15(12(18)10-11)26(23,24)19-7-8-21-16(22)6-4-13(20-21)14-2-1-9-25-14/h1-6,9-10,19H,7-8H2
InChIKeyXZHNWPGIMIKNQI-UHFFFAOYSA-N
XLogP2.23
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-difluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16905618
3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905781
3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905803
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide
CID 16905752
4-methyl-3,5-dinitro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905791
3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905666
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 72718645
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzenesulfonamide
CID 41241467
5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169942
2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169927
2-(4-methoxyphenoxy)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]ethanesulfonamide
CID 90518508

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide (CID 16905802) is 2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide is O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is XZHNWPGIMIKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3S2/c17-11-3-5-15(12(18)10-11)26(23,24)19-7-8-21-16(22)6-4-13(20-21)14-2-1-9-25-14/h1-6,9-10,19H,7-8H2.
What are the key properties of 2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16905802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).