N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide

C20H19FN2O3S — CID 3231716

IUPACN-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)cn(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C20H19FN2O3S/c1-14-3-9-18(10-4-14)27(25,26)22-19-11-15(2)12-23(20(19)24)13-16-5-7-17(21)8-6-16/h3-12,22H,13H2,1-2H3
InChIKeyGNJANBUZCVEFHA-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.45
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide

N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 3231716) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID3231716
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)cn(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C20H19FN2O3S/c1-14-3-9-18(10-4-14)27(25,26)22-19-11-15(2)12-23(20(19)24)13-16-5-7-17(21)8-6-16/h3-12,22H,13H2,1-2H3
InChIKeyGNJANBUZCVEFHA-UHFFFAOYSA-N
XLogP3.45
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide (CID 3231716) is N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)cn(Cc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is GNJANBUZCVEFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-14-3-9-18(10-4-14)27(25,26)22-19-11-15(2)12-23(20(19)24)13-16-5-7-17(21)8-6-16/h3-12,22H,13H2,1-2H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide?
N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3231716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).