N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide

C19H16F2N2O3S — CID 69439644

IUPACN-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C19H16F2N2O3S/c1-27(25,26)22-16-6-3-14(4-7-16)15-5-9-19(24)23(12-15)11-13-2-8-17(20)18(21)10-13/h2-10,12,22H,11H2,1H3
InChIKeyAEEQTODLMZGGAR-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.21
Rot. Bonds5

About N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide

N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide (PubChem CID 69439644) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide
PubChem CID69439644
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC NameN-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C19H16F2N2O3S/c1-27(25,26)22-16-6-3-14(4-7-16)15-5-9-19(24)23(12-15)11-13-2-8-17(20)18(21)10-13/h2-10,12,22H,11H2,1H3
InChIKeyAEEQTODLMZGGAR-UHFFFAOYSA-N
XLogP3.21
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
CID 69443479
methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate
CID 69444093
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one
CID 155295102
bis[[4-[1-[(4-chloro-2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methyl] carbonate
CID 91593705
N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 81431279
tert-butyl N-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methyl]carbamate
CID 91118872
N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide
CID 58231295
1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one
CID 69443395
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
1-[(3-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-6-oxopyridine-3-carboxamide
CID 26844102
3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide
CID 69438815

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide (CID 69439644) is N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)cc1.
What is the InChIKey of N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is AEEQTODLMZGGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c1-27(25,26)22-16-6-3-14(4-7-16)15-5-9-19(24)23(12-15)11-13-2-8-17(20)18(21)10-13/h2-10,12,22H,11H2,1H3.
What are the key properties of N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide?
N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 390.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 69439644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).