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

C16H13Cl2N3O3S2 — CID 16905781

IUPAC3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O3S2/c17-12-4-3-11(10-13(12)18)26(23,24)19-7-8-21-16(22)6-5-14(20-21)15-2-1-9-25-15/h1-6,9-10,19H,7-8H2
InChIKeyJKGFDOFLPRNOGU-UHFFFAOYSA-N
MW430.34 g/mol
LogP3.26
Rot. Bonds6

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

3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 16905781) has the molecular formula C16H13Cl2N3O3S2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID16905781
Molecular FormulaC16H13Cl2N3O3S2
Molecular Weight430.34 g/mol
Exact Mass428.98
IUPAC Name3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O3S2/c17-12-4-3-11(10-13(12)18)26(23,24)19-7-8-21-16(22)6-5-14(20-21)15-2-1-9-25-15/h1-6,9-10,19H,7-8H2
InChIKeyJKGFDOFLPRNOGU-UHFFFAOYSA-N
XLogP3.26
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905803
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 41241474
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
2-[(3,4-dichlorophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one
CID 7659601
4-acetyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169943
2-(4-methoxyphenoxy)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]ethanesulfonamide
CID 90518508
5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169942
3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 20932408
3,4-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 110716709
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 3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide (CID 16905781) is 3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide is O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is JKGFDOFLPRNOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S2/c17-12-4-3-11(10-13(12)18)26(23,24)19-7-8-21-16(22)6-5-14(20-21)15-2-1-9-25-15/h1-6,9-10,19H,7-8H2.
What are the key properties of 3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 430.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16905781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).