3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine

C21H20ClFN4O2S — CID 42110771

IUPAC3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)ccc1F
InChIInChI=1S/C21H20ClFN4O2S/c1-15-14-18(6-7-19(15)23)30(28,29)27-12-10-26(11-13-27)21-9-8-20(24-25-21)16-2-4-17(22)5-3-16/h2-9,14H,10-13H2,1H3
InChIKeyNYSZGVFYGIUWBW-UHFFFAOYSA-N
MW446.94 g/mol
LogP3.76
Rot. Bonds4

About 3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine

3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 42110771) has the molecular formula C21H20ClFN4O2S and a molecular weight of 446.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID42110771
Molecular FormulaC21H20ClFN4O2S
Molecular Weight446.94 g/mol
Exact Mass446.10
IUPAC Name3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)ccc1F
InChIInChI=1S/C21H20ClFN4O2S/c1-15-14-18(6-7-19(15)23)30(28,29)27-12-10-26(11-13-27)21-9-8-20(24-25-21)16-2-4-17(22)5-3-16/h2-9,14H,10-13H2,1H3
InChIKeyNYSZGVFYGIUWBW-UHFFFAOYSA-N
XLogP3.76
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 42110771) is 3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine is Cc1cc(S(=O)(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)ccc1F.
What is the InChIKey of 3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is NYSZGVFYGIUWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O2S/c1-15-14-18(6-7-19(15)23)30(28,29)27-12-10-26(11-13-27)21-9-8-20(24-25-21)16-2-4-17(22)5-3-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 446.94 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 42110771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).