2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide

C11H7ClF2N2O2S — CID 113259716

IUPAC2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)nc1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H7ClF2N2O2S/c12-9-3-1-7(13)5-10(9)19(17,18)16-8-2-4-11(14)15-6-8/h1-6,16H
InChIKeyIIGIKFIGBATEEM-UHFFFAOYSA-N
MW304.71 g/mol
LogP2.81
Rot. Bonds3

About 2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide

2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide (PubChem CID 113259716) has the molecular formula C11H7ClF2N2O2S and a molecular weight of 304.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
PubChem CID113259716
Molecular FormulaC11H7ClF2N2O2S
Molecular Weight304.71 g/mol
Exact Mass303.99
IUPAC Name2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)nc1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H7ClF2N2O2S/c12-9-3-1-7(13)5-10(9)19(17,18)16-8-2-4-11(14)15-6-8/h1-6,16H
InChIKeyIIGIKFIGBATEEM-UHFFFAOYSA-N
XLogP2.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 52.81
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

2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775753
N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115649180
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
CID 86790541
N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103223782
2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide
CID 106912977
2-chloro-N-[3-(chloromethyl)phenyl]-5-fluorobenzenesulfonamide
CID 105400633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide (CID 113259716) is 2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)nc1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The InChIKey is IIGIKFIGBATEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O2S/c12-9-3-1-7(13)5-10(9)19(17,18)16-8-2-4-11(14)15-6-8/h1-6,16H.
What are the key properties of 2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide has a molecular weight of 304.71 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 113259716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).