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

C21H21FN4O2S — CID 42110748

IUPAC3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)ccc1F
InChIInChI=1S/C21H21FN4O2S/c1-16-15-18(7-8-19(16)22)29(27,28)26-13-11-25(12-14-26)21-10-9-20(23-24-21)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyFJKDIIJUJZWOLG-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.10
Rot. Bonds4

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

3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine (PubChem CID 42110748) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
PubChem CID42110748
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC Name3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)ccc1F
InChIInChI=1S/C21H21FN4O2S/c1-16-15-18(7-8-19(16)22)29(27,28)26-13-11-25(12-14-26)21-10-9-20(23-24-21)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyFJKDIIJUJZWOLG-UHFFFAOYSA-N
XLogP3.10
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490672
3-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyridazine
CID 121060684
3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 42110742
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 42109392
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-3-methylquinoline
CID 110420550
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110738
3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060769
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341388
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
The IUPAC name of 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine (CID 42110748) is 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine is Cc1cc(S(=O)(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)ccc1F.
What is the InChIKey of 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
The InChIKey is FJKDIIJUJZWOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-16-15-18(7-8-19(16)22)29(27,28)26-13-11-25(12-14-26)21-10-9-20(23-24-21)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine has a molecular weight of 412.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine is sourced from PubChem (CID 42110748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).