4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

C18H21Cl2N5O3S — CID 121053132

IUPAC4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C18H21Cl2N5O3S/c19-14-1-2-15(20)16(13-14)29(26,27)25-7-5-23(6-8-25)17-3-4-18(22-21-17)24-9-11-28-12-10-24/h1-4,13H,5-12H2
InChIKeyNSVYGIYGKZQPFX-UHFFFAOYSA-N
MW458.37 g/mol
LogP2.13
Rot. Bonds4

About 4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 121053132) has the molecular formula C18H21Cl2N5O3S and a molecular weight of 458.37 g/mol. Its IUPAC name is 4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID121053132
Molecular FormulaC18H21Cl2N5O3S
Molecular Weight458.37 g/mol
Exact Mass457.07
IUPAC Name4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C18H21Cl2N5O3S/c19-14-1-2-15(20)16(13-14)29(26,27)25-7-5-23(6-8-25)17-3-4-18(22-21-17)24-9-11-28-12-10-24/h1-4,13H,5-12H2
InChIKeyNSVYGIYGKZQPFX-UHFFFAOYSA-N
XLogP2.13
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969049
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 112818291
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490634
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065023
4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 26843191
4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335405
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
(5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 24996417

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (CID 121053132) is 4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of 4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is NSVYGIYGKZQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O3S/c19-14-1-2-15(20)16(13-14)29(26,27)25-7-5-23(6-8-25)17-3-4-18(22-21-17)24-9-11-28-12-10-24/h1-4,13H,5-12H2.
What are the key properties of 4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 458.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 121053132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).