N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide

C13H12F2N2O3S — CID 103098110

IUPACN-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C13H12F2N2O3S/c1-8-3-5-10(20-2)11(7-8)21(18,19)17-9-4-6-12(14)16-13(9)15/h3-7,17H,1-2H3
InChIKeyLQTXTUTWOUGXJJ-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.48
Rot. Bonds4

About N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide

N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 103098110) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID103098110
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C13H12F2N2O3S/c1-8-3-5-10(20-2)11(7-8)21(18,19)17-9-4-6-12(14)16-13(9)15/h3-7,17H,1-2H3
InChIKeyLQTXTUTWOUGXJJ-UHFFFAOYSA-N
XLogP2.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300241
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 104821473
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 104821613

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide (CID 103098110) is N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is LQTXTUTWOUGXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-8-3-5-10(20-2)11(7-8)21(18,19)17-9-4-6-12(14)16-13(9)15/h3-7,17H,1-2H3.
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 314.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 103098110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).