2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide

C15H18N2O3S — CID 110730588

IUPAC2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(=O)n(C)c2)c1
InChIInChI=1S/C15H18N2O3S/c1-11-4-5-12(2)14(8-11)21(19,20)16-9-13-6-7-15(18)17(3)10-13/h4-8,10,16H,9H2,1-3H3
InChIKeyIPIRGUIBZACQLK-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.48
Rot. Bonds4

About 2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide

2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 110730588) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID110730588
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(=O)n(C)c2)c1
InChIInChI=1S/C15H18N2O3S/c1-11-4-5-12(2)14(8-11)21(19,20)16-9-13-6-7-15(18)17(3)10-13/h4-8,10,16H,9H2,1-3H3
InChIKeyIPIRGUIBZACQLK-UHFFFAOYSA-N
XLogP1.48
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110730616
2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786930
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55464498
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 110730591
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 110730606
2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132655966
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110730602
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 91669643
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 20934938

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide (CID 110730588) is 2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2ccc(=O)n(C)c2)c1.
What is the InChIKey of 2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is IPIRGUIBZACQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-4-5-12(2)14(8-11)21(19,20)16-9-13-6-7-15(18)17(3)10-13/h4-8,10,16H,9H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide?
2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110730588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).