4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide

C14H16N2O4S — CID 110724977

IUPAC4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(=O)[nH]c2)cc1C
InChIInChI=1S/C14H16N2O4S/c1-9-7-13(10(2)6-12(9)20-3)21(18,19)16-11-4-5-14(17)15-8-11/h4-8,16H,1-3H3,(H,15,17)
InChIKeyMAWQLQLESHRBPV-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.80
Rot. Bonds4

About 4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide

4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide (PubChem CID 110724977) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
PubChem CID110724977
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(=O)[nH]c2)cc1C
InChIInChI=1S/C14H16N2O4S/c1-9-7-13(10(2)6-12(9)20-3)21(18,19)16-11-4-5-14(17)15-8-11/h4-8,16H,1-3H3,(H,15,17)
InChIKeyMAWQLQLESHRBPV-UHFFFAOYSA-N
XLogP1.80
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110668488
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110728948
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 100536303
4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724957
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide
CID 75512057
4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415
N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide (CID 110724977) is 4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc(=O)[nH]c2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The InChIKey is MAWQLQLESHRBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9-7-13(10(2)6-12(9)20-3)21(18,19)16-11-4-5-14(17)15-8-11/h4-8,16H,1-3H3,(H,15,17).
What are the key properties of 4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide is sourced from PubChem (CID 110724977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).