1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one

C17H20FN3O4S — CID 67193492

IUPAC1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCN1CCN(Cc2ccn(S(=O)(=O)c3ccccc3F)c(=O)c2O)CC1
InChIInChI=1S/C17H20FN3O4S/c1-19-8-10-20(11-9-19)12-13-6-7-21(17(23)16(13)22)26(24,25)15-5-3-2-4-14(15)18/h2-7,22H,8-12H2,1H3
InChIKeyKWYVJFUOPHXYPW-UHFFFAOYSA-N
MW381.43 g/mol
LogP0.68
Rot. Bonds4

About 1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one

1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one (PubChem CID 67193492) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one
PubChem CID67193492
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCN1CCN(Cc2ccn(S(=O)(=O)c3ccccc3F)c(=O)c2O)CC1
InChIInChI=1S/C17H20FN3O4S/c1-19-8-10-20(11-9-19)12-13-6-7-21(17(23)16(13)22)26(24,25)15-5-3-2-4-14(15)18/h2-7,22H,8-12H2,1H3
InChIKeyKWYVJFUOPHXYPW-UHFFFAOYSA-N
XLogP0.68
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one (CID 67193492) is 1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one is CN1CCN(Cc2ccn(S(=O)(=O)c3ccccc3F)c(=O)c2O)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one?
The InChIKey is KWYVJFUOPHXYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-19-8-10-20(11-9-19)12-13-6-7-21(17(23)16(13)22)26(24,25)15-5-3-2-4-14(15)18/h2-7,22H,8-12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one?
1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one has a molecular weight of 381.43 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 67193492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).