3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine

C15H17ClN4O2S — CID 50947386

IUPAC3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1
InChIInChI=1S/C15H17ClN4O2S/c1-12-6-7-15(18-17-12)19-8-10-20(11-9-19)23(21,22)14-5-3-2-4-13(14)16/h2-7H,8-11H2,1H3
InChIKeyXDCAHFOTOWHABD-UHFFFAOYSA-N
MW352.85 g/mol
LogP1.95
Rot. Bonds3

About 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine

3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (PubChem CID 50947386) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
PubChem CID50947386
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1
InChIInChI=1S/C15H17ClN4O2S/c1-12-6-7-15(18-17-12)19-8-10-20(11-9-19)23(21,22)14-5-3-2-4-13(14)16/h2-7H,8-11H2,1H3
InChIKeyXDCAHFOTOWHABD-UHFFFAOYSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (CID 50947386) is 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1.
What is the InChIKey of 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The InChIKey is XDCAHFOTOWHABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-12-6-7-15(18-17-12)19-8-10-20(11-9-19)23(21,22)14-5-3-2-4-13(14)16/h2-7H,8-11H2,1H3.
What are the key properties of 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine has a molecular weight of 352.85 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 50947386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).