6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine

C19H22ClN3O2S — CID 27373511

IUPAC6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1ccc(NCCC2=CCCCC2)nn1
InChIInChI=1S/C19H22ClN3O2S/c20-17-8-6-16(7-9-17)14-26(24,25)19-11-10-18(22-23-19)21-13-12-15-4-2-1-3-5-15/h4,6-11H,1-3,5,12-14H2,(H,21,22)
InChIKeyLRRYUZUMXYDORK-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.41
Rot. Bonds7

About 6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine

6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine (PubChem CID 27373511) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine
PubChem CID27373511
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1ccc(NCCC2=CCCCC2)nn1
InChIInChI=1S/C19H22ClN3O2S/c20-17-8-6-16(7-9-17)14-26(24,25)19-11-10-18(22-23-19)21-13-12-15-4-2-1-3-5-15/h4,6-11H,1-3,5,12-14H2,(H,21,22)
InChIKeyLRRYUZUMXYDORK-UHFFFAOYSA-N
XLogP4.41
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine (CID 27373511) is 6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine is O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(NCCC2=CCCCC2)nn1.
What is the InChIKey of 6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine?
The InChIKey is LRRYUZUMXYDORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-17-8-6-16(7-9-17)14-26(24,25)19-11-10-18(22-23-19)21-13-12-15-4-2-1-3-5-15/h4,6-11H,1-3,5,12-14H2,(H,21,22).
What are the key properties of 6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine?
6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine has a molecular weight of 391.92 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 27373511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).