5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide

C16H16FN5O4S — CID 56765830

IUPAC5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C16H16FN5O4S/c1-26-13-4-3-12(17)11-14(13)27(24,25)19-8-10-22-16(23)6-5-15(20-22)21-9-2-7-18-21/h2-7,9,11,19H,8,10H2,1H3
InChIKeyMLTFBJNPFCPFGF-UHFFFAOYSA-N
MW393.40 g/mol
LogP0.56
Rot. Bonds7

About 5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 56765830) has the molecular formula C16H16FN5O4S and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID56765830
Molecular FormulaC16H16FN5O4S
Molecular Weight393.40 g/mol
Exact Mass393.09
IUPAC Name5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C16H16FN5O4S/c1-26-13-4-3-12(17)11-14(13)27(24,25)19-8-10-22-16(23)6-5-15(20-22)21-9-2-7-18-21/h2-7,9,11,19H,8,10H2,1H3
InChIKeyMLTFBJNPFCPFGF-UHFFFAOYSA-N
XLogP0.56
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide (CID 56765830) is 5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCn1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is MLTFBJNPFCPFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O4S/c1-26-13-4-3-12(17)11-14(13)27(24,25)19-8-10-22-16(23)6-5-15(20-22)21-9-2-7-18-21/h2-7,9,11,19H,8,10H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 393.40 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 56765830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).