3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine

C18H17Cl2N5O2S — CID 71799937

IUPAC3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C18H17Cl2N5O2S/c19-15-4-3-14(13-16(15)20)28(26,27)25-11-9-24(10-12-25)18-6-5-17(21-22-18)23-7-1-2-8-23/h1-8,13H,9-12H2
InChIKeyJUGVYOVBYJQFCB-UHFFFAOYSA-N
MW438.34 g/mol
LogP3.09
Rot. Bonds4

About 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine

3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine (PubChem CID 71799937) has the molecular formula C18H17Cl2N5O2S and a molecular weight of 438.34 g/mol. Its IUPAC name is 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
PubChem CID71799937
Molecular FormulaC18H17Cl2N5O2S
Molecular Weight438.34 g/mol
Exact Mass437.05
IUPAC Name3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C18H17Cl2N5O2S/c19-15-4-3-14(13-16(15)20)28(26,27)25-11-9-24(10-12-25)18-6-5-17(21-22-18)23-7-1-2-8-23/h1-8,13H,9-12H2
InChIKeyJUGVYOVBYJQFCB-UHFFFAOYSA-N
XLogP3.09
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine?
The IUPAC name of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine (CID 71799937) is 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine.
What is the SMILES notation for 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine?
The canonical SMILES for 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine?
The InChIKey is JUGVYOVBYJQFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2S/c19-15-4-3-14(13-16(15)20)28(26,27)25-11-9-24(10-12-25)18-6-5-17(21-22-18)23-7-1-2-8-23/h1-8,13H,9-12H2.
What are the key properties of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine?
3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine has a molecular weight of 438.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine is sourced from PubChem (CID 71799937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).