N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide

C11H6F4N2O2S — CID 164941165

IUPACN-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)nc(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C11H6F4N2O2S/c12-7-8(13)10(14)16-11(15)9(7)17-20(18,19)6-4-2-1-3-5-6/h1-5,17H
InChIKeyNZPOPLCJCYIJDD-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.44
Rot. Bonds3

About N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide

N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide (PubChem CID 164941165) has the molecular formula C11H6F4N2O2S and a molecular weight of 306.24 g/mol. Its IUPAC name is N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide
PubChem CID164941165
Molecular FormulaC11H6F4N2O2S
Molecular Weight306.24 g/mol
Exact Mass306.01
IUPAC NameN-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)nc(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C11H6F4N2O2S/c12-7-8(13)10(14)16-11(15)9(7)17-20(18,19)6-4-2-1-3-5-6/h1-5,17H
InChIKeyNZPOPLCJCYIJDD-UHFFFAOYSA-N
XLogP2.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide (CID 164941165) is N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1c(F)nc(F)c(F)c1F)c1ccccc1.
What is the InChIKey of N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide?
The InChIKey is NZPOPLCJCYIJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O2S/c12-7-8(13)10(14)16-11(15)9(7)17-20(18,19)6-4-2-1-3-5-6/h1-5,17H.
What are the key properties of N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide?
N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide has a molecular weight of 306.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 164941165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).