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

C16H14ClN3O3S2 — CID 16905803

IUPAC3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O3S2/c17-12-3-1-4-13(11-12)25(22,23)18-8-9-20-16(21)7-6-14(19-20)15-5-2-10-24-15/h1-7,10-11,18H,8-9H2
InChIKeyIXDMYVFGHYWOOI-UHFFFAOYSA-N
MW395.89 g/mol
LogP2.60
Rot. Bonds6

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

3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 16905803) has the molecular formula C16H14ClN3O3S2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID16905803
Molecular FormulaC16H14ClN3O3S2
Molecular Weight395.89 g/mol
Exact Mass395.02
IUPAC Name3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O3S2/c17-12-3-1-4-13(11-12)25(22,23)18-8-9-20-16(21)7-6-14(19-20)15-5-2-10-24-15/h1-7,10-11,18H,8-9H2
InChIKeyIXDMYVFGHYWOOI-UHFFFAOYSA-N
XLogP2.60
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905781
3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 20932408
4-methyl-3,5-dinitro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905791
2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905802
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide
CID 16905752
3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539179
5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169942
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 41241474
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322551
2-(4-methoxyphenoxy)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]ethanesulfonamide
CID 90518508
2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 16905716

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide (CID 16905803) is 3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide is O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is IXDMYVFGHYWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S2/c17-12-3-1-4-13(11-12)25(22,23)18-8-9-20-16(21)7-6-14(19-20)15-5-2-10-24-15/h1-7,10-11,18H,8-9H2.
What are the key properties of 3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 395.89 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16905803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).