3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

C15H17FN4O3S — CID 121060926

IUPAC3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)cc1F
InChIInChI=1S/C15H17FN4O3S/c1-23-14-5-4-12(11-13(14)16)24(21,22)20-9-7-19(8-10-20)15-3-2-6-17-18-15/h2-6,11H,7-10H2,1H3
InChIKeyYPXKXKNGOGPWDS-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.14
Rot. Bonds4

About 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121060926) has the molecular formula C15H17FN4O3S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID121060926
Molecular FormulaC15H17FN4O3S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC Name3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)cc1F
InChIInChI=1S/C15H17FN4O3S/c1-23-14-5-4-12(11-13(14)16)24(21,22)20-9-7-19(8-10-20)15-3-2-6-17-18-15/h2-6,11H,7-10H2,1H3
InChIKeyYPXKXKNGOGPWDS-UHFFFAOYSA-N
XLogP1.14
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine 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-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060951
6-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347522
3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121061006
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine
CID 37498338
3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060962
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060936
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 121060926) is 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is COc1ccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)cc1F.
What is the InChIKey of 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is YPXKXKNGOGPWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3S/c1-23-14-5-4-12(11-13(14)16)24(21,22)20-9-7-19(8-10-20)15-3-2-6-17-18-15/h2-6,11H,7-10H2,1H3.
What are the key properties of 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 352.39 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121060926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).