3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide

C11H9ClFN3O2S — CID 103050176

IUPAC3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2ccccn2)c1F
InChIInChI=1S/C11H9ClFN3O2S/c12-7-5-8(14)11(13)9(6-7)19(17,18)16-10-3-1-2-4-15-10/h1-6H,14H2,(H,15,16)
InChIKeyGAPFZUPJQSONKJ-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.26
Rot. Bonds3

About 3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide

3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 103050176) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide
PubChem CID103050176
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC Name3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2ccccn2)c1F
InChIInChI=1S/C11H9ClFN3O2S/c12-7-5-8(14)11(13)9(6-7)19(17,18)16-10-3-1-2-4-15-10/h1-6H,14H2,(H,15,16)
InChIKeyGAPFZUPJQSONKJ-UHFFFAOYSA-N
XLogP2.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 103051902
3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103050583
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 103050305
3-amino-5-chloro-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 103050320
3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 103050231
2-chloro-N-pyridin-2-ylpyridine-3-sulfonamide
CID 43415000
3-amino-5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 103050411
3-amino-5-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103050336
5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 102945838
3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
CID 107624597
4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 2809182

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide (CID 103050176) is 3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)Nc2ccccn2)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is GAPFZUPJQSONKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c12-7-5-8(14)11(13)9(6-7)19(17,18)16-10-3-1-2-4-15-10/h1-6H,14H2,(H,15,16).
What are the key properties of 3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 301.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 103050176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).