N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide

C13H13FN2O2S — CID 104821515

IUPACN-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(F)n2)c(C)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-6-7-11(10(2)8-9)19(17,18)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyPBSRMSTXOQPTIW-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.64
Rot. Bonds3

About N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide

N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 104821515) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
PubChem CID104821515
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(F)n2)c(C)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-6-7-11(10(2)8-9)19(17,18)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyPBSRMSTXOQPTIW-UHFFFAOYSA-N
XLogP2.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide
CID 155278636
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633
4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine
CID 115591104
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115692563
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318
N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 104821669
5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812591
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 104821613
2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2089878

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide (CID 104821515) is N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(F)n2)c(C)c1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is PBSRMSTXOQPTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-6-7-11(10(2)8-9)19(17,18)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide?
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 104821515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).