N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine

C23H27N5O2S — CID 44827469

IUPACN-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)c(C)c1
InChIInChI=1S/C23H27N5O2S/c1-17-15-18(2)23(19(3)16-17)31(29,30)28-13-11-27(12-14-28)22-10-9-21(25-26-22)24-20-7-5-4-6-8-20/h4-10,15-16H,11-14H2,1-3H3,(H,24,25)
InChIKeyAKCKFUSZNYGSAC-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.66
Rot. Bonds5

About N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine

N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine (PubChem CID 44827469) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
PubChem CID44827469
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)c(C)c1
InChIInChI=1S/C23H27N5O2S/c1-17-15-18(2)23(19(3)16-17)31(29,30)28-13-11-27(12-14-28)22-10-9-21(25-26-22)24-20-7-5-4-6-8-20/h4-10,15-16H,11-14H2,1-3H3,(H,24,25)
InChIKeyAKCKFUSZNYGSAC-UHFFFAOYSA-N
XLogP3.66
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843158
N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843164
4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 26843191
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 42112005
6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843160
6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843165
N-phenyl-6-piperidin-1-ylpyridazin-3-amine
CID 6461022
N-(4-methylphenyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 7178093

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine (CID 44827469) is N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine is Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)c(C)c1.
What is the InChIKey of N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The InChIKey is AKCKFUSZNYGSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-17-15-18(2)23(19(3)16-17)31(29,30)28-13-11-27(12-14-28)22-10-9-21(25-26-22)24-20-7-5-4-6-8-20/h4-10,15-16H,11-14H2,1-3H3,(H,24,25).
What are the key properties of N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine has a molecular weight of 437.57 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 44827469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).