3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine

C15H17ClN4O2S — CID 121060976

IUPAC3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H17ClN4O2S/c1-12-13(16)4-2-5-14(12)23(21,22)20-10-8-19(9-11-20)15-6-3-7-17-18-15/h2-7H,8-11H2,1H3
InChIKeyDAOWDYJXRWUBFL-UHFFFAOYSA-N
MW352.85 g/mol
LogP1.95
Rot. Bonds3

About 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine

3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121060976) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID121060976
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H17ClN4O2S/c1-12-13(16)4-2-5-14(12)23(21,22)20-10-8-19(9-11-20)15-6-3-7-17-18-15/h2-7H,8-11H2,1H3
InChIKeyDAOWDYJXRWUBFL-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-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 121060976) is 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine is Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is DAOWDYJXRWUBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-12-13(16)4-2-5-14(12)23(21,22)20-10-8-19(9-11-20)15-6-3-7-17-18-15/h2-7H,8-11H2,1H3.
What are the key properties of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine 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-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121060976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).