3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine

C21H28N4O2S — CID 122279803

IUPAC3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1
InChIInChI=1S/C21H28N4O2S/c1-21(2,3)17-6-8-18(9-7-17)28(26,27)25-14-12-24(13-15-25)20-11-10-19(22-23-20)16-4-5-16/h6-11,16H,4-5,12-15H2,1-3H3
InChIKeyPXIQYPLEYLSDPB-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.16
Rot. Bonds4

About 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine

3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine (PubChem CID 122279803) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine.

Molecular Properties

Compound Name3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
PubChem CID122279803
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1
InChIInChI=1S/C21H28N4O2S/c1-21(2,3)17-6-8-18(9-7-17)28(26,27)25-14-12-24(13-15-25)20-11-10-19(22-23-20)16-4-5-16/h6-11,16H,4-5,12-15H2,1-3H3
InChIKeyPXIQYPLEYLSDPB-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279749
3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279758
3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279772
1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 122279785
3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 119105960
8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline
CID 122279795
1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole
CID 121190319
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
CID 121065332
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
cis-(1R,2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 27527765

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine?
The IUPAC name of 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine (CID 122279803) is 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine.
What is the SMILES notation for 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine?
The canonical SMILES for 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1.
What is the InChIKey of 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine?
The InChIKey is PXIQYPLEYLSDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-21(2,3)17-6-8-18(9-7-17)28(26,27)25-14-12-24(13-15-25)20-11-10-19(22-23-20)16-4-5-16/h6-11,16H,4-5,12-15H2,1-3H3.
What are the key properties of 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine?
3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine has a molecular weight of 400.55 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine is sourced from PubChem (CID 122279803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).