4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide

C11H9ClFN3O2S — CID 82844123

IUPAC4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C11H9ClFN3O2S/c12-11-4-1-7(6-15-11)16-19(17,18)8-2-3-10(14)9(13)5-8/h1-6,16H,14H2
InChIKeyGVFHZIHYRJNENK-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.26
Rot. Bonds3

About 4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide

4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide (PubChem CID 82844123) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
PubChem CID82844123
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC Name4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C11H9ClFN3O2S/c12-11-4-1-7(6-15-11)16-19(17,18)8-2-3-10(14)9(13)5-8/h1-6,16H,14H2
InChIKeyGVFHZIHYRJNENK-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 82844573
4-amino-3-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 82843709
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 116528770
4-amino-N-(3-cyano-4-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845927
5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid
CID 103962654
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
N-(6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 78945043
N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606554
methyl 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-methylbenzoate
CID 87814534

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide (CID 82844123) is 4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1F.
What is the InChIKey of 4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
The InChIKey is GVFHZIHYRJNENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c12-11-4-1-7(6-15-11)16-19(17,18)8-2-3-10(14)9(13)5-8/h1-6,16H,14H2.
What are the key properties of 4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide 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 4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82844123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).