6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine

C17H15ClN4O2S — CID 27373507

IUPAC6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C17H15ClN4O2S/c18-14-6-4-13(5-7-14)12-25(23,24)17-9-8-16(21-22-17)20-11-15-3-1-2-10-19-15/h1-10H,11-12H2,(H,20,21)
InChIKeyFDYOFIRJOBPXOW-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.11
Rot. Bonds6

About 6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine

6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine (PubChem CID 27373507) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine
PubChem CID27373507
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C17H15ClN4O2S/c18-14-6-4-13(5-7-14)12-25(23,24)17-9-8-16(21-22-17)20-11-15-3-1-2-10-19-15/h1-10H,11-12H2,(H,20,21)
InChIKeyFDYOFIRJOBPXOW-UHFFFAOYSA-N
XLogP3.11
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of 6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine (CID 27373507) is 6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine is O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of 6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
The InChIKey is FDYOFIRJOBPXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c18-14-6-4-13(5-7-14)12-25(23,24)17-9-8-16(21-22-17)20-11-15-3-1-2-10-19-15/h1-10H,11-12H2,(H,20,21).
What are the key properties of 6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine has a molecular weight of 374.85 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 27373507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).