N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide

C12H8F4N2O2S — CID 104821669

IUPACN-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H8F4N2O2S/c13-10-6-3-7-11(17-10)18-21(19,20)9-5-2-1-4-8(9)12(14,15)16/h1-7H,(H,17,18)
InChIKeyLBMDSKQTBQEWIK-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.04
Rot. Bonds3

About N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide

N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 104821669) has the molecular formula C12H8F4N2O2S and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID104821669
Molecular FormulaC12H8F4N2O2S
Molecular Weight320.27 g/mol
Exact Mass320.02
IUPAC NameN-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H8F4N2O2S/c13-10-6-3-7-11(17-10)18-21(19,20)9-5-2-1-4-8(9)12(14,15)16/h1-7H,(H,17,18)
InChIKeyLBMDSKQTBQEWIK-UHFFFAOYSA-N
XLogP3.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.04
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

4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 103278216
N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 115695455
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 79028887
5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812591
5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812605

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide (CID 104821669) is N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(F)n1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LBMDSKQTBQEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2S/c13-10-6-3-7-11(17-10)18-21(19,20)9-5-2-1-4-8(9)12(14,15)16/h1-7H,(H,17,18).
What are the key properties of N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 320.27 g/mol, XLogP of 3.04, 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-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 104821669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).