2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

C22H21FN2O3S — CID 10136394

IUPAC2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(C3CCCC3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O3S/c1-29(27,28)19-12-8-15(9-13-19)20-14-24-25(18-4-2-3-5-18)22(26)21(20)16-6-10-17(23)11-7-16/h6-14,18H,2-5H2,1H3
InChIKeyGYUUUDNYDSXXNE-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.24
Rot. Bonds4

About 2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 10136394) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID10136394
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(C3CCCC3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O3S/c1-29(27,28)19-12-8-15(9-13-19)20-14-24-25(18-4-2-3-5-18)22(26)21(20)16-6-10-17(23)11-7-16/h6-14,18H,2-5H2,1H3
InChIKeyGYUUUDNYDSXXNE-UHFFFAOYSA-N
XLogP4.24
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 10136394) is 2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2cnn(C3CCCC3)c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is GYUUUDNYDSXXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-29(27,28)19-12-8-15(9-13-19)20-14-24-25(18-4-2-3-5-18)22(26)21(20)16-6-10-17(23)11-7-16/h6-14,18H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 412.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 10136394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).