2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide

C13H14N2O3S — CID 1125112

IUPAC2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C13H14N2O3S/c1-10-3-4-12(18-2)13(9-10)19(16,17)15-11-5-7-14-8-6-11/h3-9H,1-2H3,(H,14,15)
InChIKeyYRUVRKUHVQKIHG-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.20
Rot. Bonds4

About 2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide

2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 1125112) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID1125112
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C13H14N2O3S/c1-10-3-4-12(18-2)13(9-10)19(16,17)15-11-5-7-14-8-6-11/h3-9H,1-2H3,(H,14,15)
InChIKeyYRUVRKUHVQKIHG-UHFFFAOYSA-N
XLogP2.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
CID 112986146
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852
2-methoxy-5-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720262
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
2-methoxy-5-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643633
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122311965
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876651
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 53048200
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 1125112) is 2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccncc1.
What is the InChIKey of 2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is YRUVRKUHVQKIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-10-3-4-12(18-2)13(9-10)19(16,17)15-11-5-7-14-8-6-11/h3-9H,1-2H3,(H,14,15).
What are the key properties of 2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide?
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 1125112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).