N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide

C19H25ClN4O2S — CID 59230507

IUPACN-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2ccc(-c3cccc(Cl)c3)nn2)CC1
InChIInChI=1S/C19H25ClN4O2S/c1-2-27(25,26)21-13-14-6-8-17(9-7-14)22-19-11-10-18(23-24-19)15-4-3-5-16(20)12-15/h3-5,10-12,14,17,21H,2,6-9,13H2,1H3,(H,22,24)
InChIKeyHWVXVHPYHXVBHL-UHFFFAOYSA-N
MW408.96 g/mol
LogP3.71
Rot. Bonds7

About N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide

N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide (PubChem CID 59230507) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
PubChem CID59230507
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC NameN-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2ccc(-c3cccc(Cl)c3)nn2)CC1
InChIInChI=1S/C19H25ClN4O2S/c1-2-27(25,26)21-13-14-6-8-17(9-7-14)22-19-11-10-18(23-24-19)15-4-3-5-16(20)12-15/h3-5,10-12,14,17,21H,2,6-9,13H2,1H3,(H,22,24)
InChIKeyHWVXVHPYHXVBHL-UHFFFAOYSA-N
XLogP3.71
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide (CID 59230507) is N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC(Nc2ccc(-c3cccc(Cl)c3)nn2)CC1.
What is the InChIKey of N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide?
The InChIKey is HWVXVHPYHXVBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2S/c1-2-27(25,26)21-13-14-6-8-17(9-7-14)22-19-11-10-18(23-24-19)15-4-3-5-16(20)12-15/h3-5,10-12,14,17,21H,2,6-9,13H2,1H3,(H,22,24).
What are the key properties of N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide?
N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 408.96 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 59230507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).