3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide

C11H7Cl2FN2O2S — CID 103775753

IUPAC3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)nc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H7Cl2FN2O2S/c12-7-3-8(13)5-10(4-7)19(17,18)16-9-1-2-11(14)15-6-9/h1-6,16H
InChIKeyIYXKPPUPERSXOR-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.33
Rot. Bonds3

About 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide

3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide (PubChem CID 103775753) has the molecular formula C11H7Cl2FN2O2S and a molecular weight of 321.16 g/mol. Its IUPAC name is 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
PubChem CID103775753
Molecular FormulaC11H7Cl2FN2O2S
Molecular Weight321.16 g/mol
Exact Mass319.96
IUPAC Name3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)nc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H7Cl2FN2O2S/c12-7-3-8(13)5-10(4-7)19(17,18)16-9-1-2-11(14)15-6-9/h1-6,16H
InChIKeyIYXKPPUPERSXOR-UHFFFAOYSA-N
XLogP3.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.33
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

3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
N-(6-amino-3-pyridinyl)-3,5-dichlorobenzenesulfonamide
CID 55025804
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
4-[(6-fluoro-3-pyridinyl)sulfamoyl]benzamide
CID 103775704
3,5-dichloro-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 25044149
3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide
CID 103871850
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 103777928

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide (CID 103775753) is 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)nc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The InChIKey is IYXKPPUPERSXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O2S/c12-7-3-8(13)5-10(4-7)19(17,18)16-9-1-2-11(14)15-6-9/h1-6,16H.
What are the key properties of 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide has a molecular weight of 321.16 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103775753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).