3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide

C13H14N2O3S — CID 51101028

IUPAC3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc[nH]c2=O)cc1C
InChIInChI=1S/C13H14N2O3S/c1-9-5-6-11(8-10(9)2)19(17,18)15-12-4-3-7-14-13(12)16/h3-8,15H,1-2H3,(H,14,16)
InChIKeyUBRKCDQDXLVGRL-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.79
Rot. Bonds3

About 3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide

3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide (PubChem CID 51101028) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide
PubChem CID51101028
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc[nH]c2=O)cc1C
InChIInChI=1S/C13H14N2O3S/c1-9-5-6-11(8-10(9)2)19(17,18)15-12-4-3-7-14-13(12)16/h3-8,15H,1-2H3,(H,14,16)
InChIKeyUBRKCDQDXLVGRL-UHFFFAOYSA-N
XLogP1.79
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide (CID 51101028) is 3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc[nH]c2=O)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The InChIKey is UBRKCDQDXLVGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-5-6-11(8-10(9)2)19(17,18)15-12-4-3-7-14-13(12)16/h3-8,15H,1-2H3,(H,14,16).
What are the key properties of 3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide?
3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-oxo-1H-pyridin-3-yl)benzenesulfonamide is sourced from PubChem (CID 51101028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).