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

C17H19Cl2N5O3S — CID 56511219

IUPAC[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nn1
InChIInChI=1S/C17H19Cl2N5O3S/c1-22(2)16-6-5-14(20-21-16)17(25)23-7-9-24(10-8-23)28(26,27)15-11-12(18)3-4-13(15)19/h3-6,11H,7-10H2,1-2H3
InChIKeyDAAPXFPIVQBPMB-UHFFFAOYSA-N
MW444.34 g/mol
LogP2.00
Rot. Bonds4

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

[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone (PubChem CID 56511219) has the molecular formula C17H19Cl2N5O3S and a molecular weight of 444.34 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
PubChem CID56511219
Molecular FormulaC17H19Cl2N5O3S
Molecular Weight444.34 g/mol
Exact Mass443.06
IUPAC Name[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nn1
InChIInChI=1S/C17H19Cl2N5O3S/c1-22(2)16-6-5-14(20-21-16)17(25)23-7-9-24(10-8-23)28(26,27)15-11-12(18)3-4-13(15)19/h3-6,11H,7-10H2,1-2H3
InChIKeyDAAPXFPIVQBPMB-UHFFFAOYSA-N
XLogP2.00
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 38170782
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9496675
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 112773721
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844718
N-(3-chlorophenyl)-4-[6-(dimethylamino)pyridazine-3-carbonyl]-1,4-diazepane-1-carboxamide
CID 56511444
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496684
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 38169111
(2S)-2-amino-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265676
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26870111
(4-chloro-2-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 16560830

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
The IUPAC name of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone (CID 56511219) is [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
The canonical SMILES for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone is CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nn1.
What is the InChIKey of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
The InChIKey is DAAPXFPIVQBPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O3S/c1-22(2)16-6-5-14(20-21-16)17(25)23-7-9-24(10-8-23)28(26,27)15-11-12(18)3-4-13(15)19/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone has a molecular weight of 444.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 56511219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).