N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride

C20H30Cl2N4O2S — CID 141230356

IUPACN,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride
SMILESCC(C)N1CCC(c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)nn2)CC1.Cl.Cl
InChIInChI=1S/C20H28N4O2S.2ClH/c1-15(2)24-13-11-17(12-14-24)20-10-9-19(21-22-20)16-5-7-18(8-6-16)27(25,26)23(3)4;;/h5-10,15,17H,11-14H2,1-4H3;2*1H
InChIKeyPLVGUMMTUNLOSW-UHFFFAOYSA-N
MW461.46 g/mol
LogP3.83
Rot. Bonds5

About N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride

N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride (PubChem CID 141230356) has the molecular formula C20H30Cl2N4O2S and a molecular weight of 461.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride
PubChem CID141230356
Molecular FormulaC20H30Cl2N4O2S
Molecular Weight461.46 g/mol
Exact Mass460.15
IUPAC NameN,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride
SMILESCC(C)N1CCC(c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)nn2)CC1.Cl.Cl
InChIInChI=1S/C20H28N4O2S.2ClH/c1-15(2)24-13-11-17(12-14-24)20-10-9-19(21-22-20)16-5-7-18(8-6-16)27(25,26)23(3)4;;/h5-10,15,17H,11-14H2,1-4H3;2*1H
InChIKeyPLVGUMMTUNLOSW-UHFFFAOYSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride?
The IUPAC name of N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride (CID 141230356) is N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride is CC(C)N1CCC(c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)nn2)CC1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride?
The InChIKey is PLVGUMMTUNLOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S.2ClH/c1-15(2)24-13-11-17(12-14-24)20-10-9-19(21-22-20)16-5-7-18(8-6-16)27(25,26)23(3)4;;/h5-10,15,17H,11-14H2,1-4H3;2*1H.
What are the key properties of N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride?
N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride has a molecular weight of 461.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 141230356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).