N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide

C15H18N2O3S — CID 110730616

IUPACN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-12-3-5-13(6-4-12)11-21(19,20)16-9-14-7-8-15(18)17(2)10-14/h3-8,10,16H,9,11H2,1-2H3
InChIKeyFEYKPOYWSADXKM-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.31
Rot. Bonds5

About N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide

N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110730616) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110730616
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-12-3-5-13(6-4-12)11-21(19,20)16-9-14-7-8-15(18)17(2)10-14/h3-8,10,16H,9,11H2,1-2H3
InChIKeyFEYKPOYWSADXKM-UHFFFAOYSA-N
XLogP1.31
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]methanesulfonamide
CID 110730618
2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730588
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110786696
N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110785872
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 110730606
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 110730591
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110730602
N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110427813
1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide
CID 110707299
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide (CID 110730616) is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCc2ccc(=O)n(C)c2)cc1.
What is the InChIKey of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is FEYKPOYWSADXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-12-3-5-13(6-4-12)11-21(19,20)16-9-14-7-8-15(18)17(2)10-14/h3-8,10,16H,9,11H2,1-2H3.
What are the key properties of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110730616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).