3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine

C20H23N5O2S — CID 122341489

IUPAC3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)c1
InChIInChI=1S/C20H23N5O2S/c1-16-5-6-17(2)18(15-16)28(26,27)25-13-11-24(12-14-25)20-8-7-19(21-22-20)23-9-3-4-10-23/h3-10,15H,11-14H2,1-2H3
InChIKeyBFQKKKVEEOGCNW-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.40
Rot. Bonds4

About 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine

3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine (PubChem CID 122341489) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
PubChem CID122341489
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)c1
InChIInChI=1S/C20H23N5O2S/c1-16-5-6-17(2)18(15-16)28(26,27)25-13-11-24(12-14-25)20-8-7-19(21-22-20)23-9-3-4-10-23/h3-10,15H,11-14H2,1-2H3
InChIKeyBFQKKKVEEOGCNW-UHFFFAOYSA-N
XLogP2.40
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine
CID 121034214
6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 16582332
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122342293
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341906
N,N-dimethyl-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-sulfonamide
CID 71799944
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 9111459
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
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
CID 56699356

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine?
The IUPAC name of 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine (CID 122341489) is 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine.
What is the SMILES notation for 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine?
The canonical SMILES for 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)c1.
What is the InChIKey of 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine?
The InChIKey is BFQKKKVEEOGCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-16-5-6-17(2)18(15-16)28(26,27)25-13-11-24(12-14-25)20-8-7-19(21-22-20)23-9-3-4-10-23/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine?
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine has a molecular weight of 397.50 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine is sourced from PubChem (CID 122341489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).