3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine

C19H24ClN5O2S — CID 122334482

IUPAC3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C19H24ClN5O2S/c1-15-4-5-16(20)14-17(15)28(26,27)25-12-10-24(11-13-25)19-7-6-18(21-22-19)23-8-2-3-9-23/h4-7,14H,2-3,8-13H2,1H3
InChIKeyOLYVQKPTULGESR-UHFFFAOYSA-N
MW421.95 g/mol
LogP2.55
Rot. Bonds4

About 3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine

3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine (PubChem CID 122334482) has the molecular formula C19H24ClN5O2S and a molecular weight of 421.95 g/mol. Its IUPAC name is 3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
PubChem CID122334482
Molecular FormulaC19H24ClN5O2S
Molecular Weight421.95 g/mol
Exact Mass421.13
IUPAC Name3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C19H24ClN5O2S/c1-15-4-5-16(20)14-17(15)28(26,27)25-12-10-24(11-13-25)19-7-6-18(21-22-19)23-8-2-3-9-23/h4-7,14H,2-3,8-13H2,1H3
InChIKeyOLYVQKPTULGESR-UHFFFAOYSA-N
XLogP2.55
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843188
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 7287711
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343590
1-[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]azepane
CID 53104590
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
6-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340397
4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 121053132
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 112818291
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
CID 122341489

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine (CID 122334482) is 3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine is Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of 3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine?
The InChIKey is OLYVQKPTULGESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2S/c1-15-4-5-16(20)14-17(15)28(26,27)25-12-10-24(11-13-25)19-7-6-18(21-22-19)23-8-2-3-9-23/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of 3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine?
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine has a molecular weight of 421.95 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 122334482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).