2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

C11H9F2N3O2S — CID 116812633

IUPAC2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C11H9F2N3O2S/c12-7-4-5-9(8(14)6-7)19(17,18)16-11-3-1-2-10(13)15-11/h1-6H,14H2,(H,15,16)
InChIKeyQVARUTWTJWZTPC-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 116812633) has the molecular formula C11H9F2N3O2S and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID116812633
Molecular FormulaC11H9F2N3O2S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C11H9F2N3O2S/c12-7-4-5-9(8(14)6-7)19(17,18)16-11-3-1-2-10(13)15-11/h1-6H,14H2,(H,15,16)
InChIKeyQVARUTWTJWZTPC-UHFFFAOYSA-N
XLogP1.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.74
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-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812605
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812591
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 28514319
2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809639
N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 104821669
5-fluoro-N-(6-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 113457005
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (CID 116812633) is 2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)Nc1cccc(F)n1.
What is the InChIKey of 2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is QVARUTWTJWZTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2S/c12-7-4-5-9(8(14)6-7)19(17,18)16-11-3-1-2-10(13)15-11/h1-6H,14H2,(H,15,16).
What are the key properties of 2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 285.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 116812633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).