3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine

C17H18Cl2N4O2S — CID 122279772

IUPAC3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C17H18Cl2N4O2S/c18-13-2-1-3-15(17(13)19)26(24,25)23-10-8-22(9-11-23)16-7-6-14(20-21-16)12-4-5-12/h1-3,6-7,12H,4-5,8-11H2
InChIKeyMURDYZSVPPVZLC-UHFFFAOYSA-N
MW413.33 g/mol
LogP3.17
Rot. Bonds4

About 3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine

3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 122279772) has the molecular formula C17H18Cl2N4O2S and a molecular weight of 413.33 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID122279772
Molecular FormulaC17H18Cl2N4O2S
Molecular Weight413.33 g/mol
Exact Mass412.05
IUPAC Name3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C17H18Cl2N4O2S/c18-13-2-1-3-15(17(13)19)26(24,25)23-10-8-22(9-11-23)16-7-6-14(20-21-16)12-4-5-12/h1-3,6-7,12H,4-5,8-11H2
InChIKeyMURDYZSVPPVZLC-UHFFFAOYSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline
CID 122279795
3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279803
3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 119105960
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279749
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279758
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 121058607
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339361
4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517170

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine (CID 122279772) is 3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine is O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is MURDYZSVPPVZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2S/c18-13-2-1-3-15(17(13)19)26(24,25)23-10-8-22(9-11-23)16-7-6-14(20-21-16)12-4-5-12/h1-3,6-7,12H,4-5,8-11H2.
What are the key properties of 3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine?
3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 413.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 122279772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).