3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine

C19H19ClN4O3S — CID 121058607

IUPAC3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C19H19ClN4O3S/c1-14-15(20)4-2-6-18(14)28(25,26)24-11-9-23(10-12-24)19-8-7-16(21-22-19)17-5-3-13-27-17/h2-8,13H,9-12H2,1H3
InChIKeyDDDMJALWZBEYFX-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.21
Rot. Bonds4

About 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine

3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine (PubChem CID 121058607) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
PubChem CID121058607
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C19H19ClN4O3S/c1-14-15(20)4-2-6-18(14)28(25,26)24-11-9-23(10-12-24)19-8-7-16(21-22-19)17-5-3-13-27-17/h2-8,13H,9-12H2,1H3
InChIKeyDDDMJALWZBEYFX-UHFFFAOYSA-N
XLogP3.21
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 42109392
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339361
3-(furan-2-yl)-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazine
CID 25283799
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 25283790
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
1-(3-chloro-2-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47203381
3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279772
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507151
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121058795

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The IUPAC name of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine (CID 121058607) is 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine.
What is the SMILES notation for 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The canonical SMILES for 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine is Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The InChIKey is DDDMJALWZBEYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-14-15(20)4-2-6-18(14)28(25,26)24-11-9-23(10-12-24)19-8-7-16(21-22-19)17-5-3-13-27-17/h2-8,13H,9-12H2,1H3.
What are the key properties of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine has a molecular weight of 418.91 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine is sourced from PubChem (CID 121058607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).