6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine

C16H19Cl2N5O2S — CID 121053007

IUPAC6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
SMILESCN(C)c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nn1
InChIInChI=1S/C16H19Cl2N5O2S/c1-21(2)15-5-6-16(20-19-15)22-7-9-23(10-8-22)26(24,25)14-11-12(17)3-4-13(14)18/h3-6,11H,7-10H2,1-2H3
InChIKeyRQBUTFYGKFXHNW-UHFFFAOYSA-N
MW416.33 g/mol
LogP2.36
Rot. Bonds4

About 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine

6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine (PubChem CID 121053007) has the molecular formula C16H19Cl2N5O2S and a molecular weight of 416.33 g/mol. Its IUPAC name is 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
PubChem CID121053007
Molecular FormulaC16H19Cl2N5O2S
Molecular Weight416.33 g/mol
Exact Mass415.06
IUPAC Name6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
SMILESCN(C)c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nn1
InChIInChI=1S/C16H19Cl2N5O2S/c1-21(2)15-5-6-16(20-19-15)22-7-9-23(10-8-22)26(24,25)14-11-12(17)3-4-13(14)18/h3-6,11H,7-10H2,1-2H3
InChIKeyRQBUTFYGKFXHNW-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944
4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 121053132
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 56511219
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 112818291
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490634
6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053024
6-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340397
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053001
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
N,N-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121053040
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065023

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The IUPAC name of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine (CID 121053007) is 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The canonical SMILES for 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine is CN(C)c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nn1.
What is the InChIKey of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The InChIKey is RQBUTFYGKFXHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O2S/c1-21(2)15-5-6-16(20-19-15)22-7-9-23(10-8-22)26(24,25)14-11-12(17)3-4-13(14)18/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine has a molecular weight of 416.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine is sourced from PubChem (CID 121053007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).