3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine

C22H30N4O2S — CID 53073343

IUPAC3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine
SMILESCc1ccc(S(=O)(=O)c2ccc(N3CCN(C4CCCCC4)CC3)nn2)cc1C
InChIInChI=1S/C22H30N4O2S/c1-17-8-9-20(16-18(17)2)29(27,28)22-11-10-21(23-24-22)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h8-11,16,19H,3-7,12-15H2,1-2H3
InChIKeyQCEBULZXVAAHGX-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.38
Rot. Bonds4

About 3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine

3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine (PubChem CID 53073343) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine
PubChem CID53073343
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine
SMILESCc1ccc(S(=O)(=O)c2ccc(N3CCN(C4CCCCC4)CC3)nn2)cc1C
InChIInChI=1S/C22H30N4O2S/c1-17-8-9-20(16-18(17)2)29(27,28)22-11-10-21(23-24-22)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h8-11,16,19H,3-7,12-15H2,1-2H3
InChIKeyQCEBULZXVAAHGX-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine
CID 53073249
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine
CID 53073339
3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
CID 53033983
2-(4-cyclohexylpiperazin-1-yl)-5-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid
CID 50766012
4-(4-cyclohexylpiperazin-1-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid
CID 46291824
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine
CID 142271744
3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
CID 171691198
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine?
The IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine (CID 53073343) is 3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine.
What is the SMILES notation for 3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine?
The canonical SMILES for 3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine is Cc1ccc(S(=O)(=O)c2ccc(N3CCN(C4CCCCC4)CC3)nn2)cc1C.
What is the InChIKey of 3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine?
The InChIKey is QCEBULZXVAAHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-17-8-9-20(16-18(17)2)29(27,28)22-11-10-21(23-24-22)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h8-11,16,19H,3-7,12-15H2,1-2H3.
What are the key properties of 3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine?
3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine has a molecular weight of 414.58 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine is sourced from PubChem (CID 53073343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).