N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine

C24H29N5O3S — CID 121053157

IUPACN,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C24H29N5O3S/c1-3-27(4-2)23-14-15-24(26-25-23)28-16-18-29(19-17-28)33(30,31)22-12-10-21(11-13-22)32-20-8-6-5-7-9-20/h5-15H,3-4,16-19H2,1-2H3
InChIKeyBZCVYDLMTJOZDN-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.63
Rot. Bonds8

About N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine

N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine (PubChem CID 121053157) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
PubChem CID121053157
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C24H29N5O3S/c1-3-27(4-2)23-14-15-24(26-25-23)28-16-18-29(19-17-28)33(30,31)22-12-10-21(11-13-22)32-20-8-6-5-7-9-20/h5-15H,3-4,16-19H2,1-2H3
InChIKeyBZCVYDLMTJOZDN-UHFFFAOYSA-N
XLogP3.63
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053001
3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121053184
6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine
CID 122335661
N,N-diethyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122335682
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
N,N-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121053040
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035207
1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122335567

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine (CID 121053157) is N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine is CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)nn1.
What is the InChIKey of N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The InChIKey is BZCVYDLMTJOZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-3-27(4-2)23-14-15-24(26-25-23)28-16-18-29(19-17-28)33(30,31)22-12-10-21(11-13-22)32-20-8-6-5-7-9-20/h5-15H,3-4,16-19H2,1-2H3.
What are the key properties of N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine has a molecular weight of 467.60 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 121053157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).