3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide

C11H8Cl2FN3O2S — CID 103051902

IUPAC3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2cccc(Cl)n2)c1F
InChIInChI=1S/C11H8Cl2FN3O2S/c12-6-4-7(15)11(14)8(5-6)20(18,19)17-10-3-1-2-9(13)16-10/h1-5H,15H2,(H,16,17)
InChIKeyASRFWCJSSCJAMU-UHFFFAOYSA-N
MW336.18 g/mol
LogP2.91
Rot. Bonds3

About 3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide

3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide (PubChem CID 103051902) has the molecular formula C11H8Cl2FN3O2S and a molecular weight of 336.18 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide
PubChem CID103051902
Molecular FormulaC11H8Cl2FN3O2S
Molecular Weight336.18 g/mol
Exact Mass334.97
IUPAC Name3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2cccc(Cl)n2)c1F
InChIInChI=1S/C11H8Cl2FN3O2S/c12-6-4-7(15)11(14)8(5-6)20(18,19)17-10-3-1-2-9(13)16-10/h1-5H,15H2,(H,16,17)
InChIKeyASRFWCJSSCJAMU-UHFFFAOYSA-N
XLogP2.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide
CID 103050176
N-(6-chloro-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 104821362
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
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113456965
3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
CID 107624597
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
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 104821321

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide (CID 103051902) is 3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)Nc2cccc(Cl)n2)c1F.
What is the InChIKey of 3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide?
The InChIKey is ASRFWCJSSCJAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3O2S/c12-6-4-7(15)11(14)8(5-6)20(18,19)17-10-3-1-2-9(13)16-10/h1-5H,15H2,(H,16,17).
What are the key properties of 3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide?
3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide has a molecular weight of 336.18 g/mol, XLogP of 2.91, 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-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103051902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).