3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine

C20H19FN4O2S — CID 42110734

IUPAC3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C20H19FN4O2S/c21-17-8-4-5-9-19(17)28(26,27)25-14-12-24(13-15-25)20-11-10-18(22-23-20)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyBCJDHQZEQBKWGS-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.79
Rot. Bonds4

About 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine

3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine (PubChem CID 42110734) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
PubChem CID42110734
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C20H19FN4O2S/c21-17-8-4-5-9-19(17)28(26,27)25-14-12-24(13-15-25)20-11-10-18(22-23-20)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyBCJDHQZEQBKWGS-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
The IUPAC name of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine (CID 42110734) is 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine is O=S(=O)(c1ccccc1F)N1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
The InChIKey is BCJDHQZEQBKWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-17-8-4-5-9-19(17)28(26,27)25-14-12-24(13-15-25)20-11-10-18(22-23-20)16-6-2-1-3-7-16/h1-11H,12-15H2.
What are the key properties of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine has a molecular weight of 398.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine is sourced from PubChem (CID 42110734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).