4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C11H9F2N3O2S — CID 82844573

IUPAC4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1F
InChIInChI=1S/C11H9F2N3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)8-2-3-10(14)9(13)5-8/h1-6H,14H2,(H,15,16)
InChIKeyPQACAQGQEHZQGA-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.74
Rot. Bonds3

About 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 82844573) has the molecular formula C11H9F2N3O2S and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID82844573
Molecular FormulaC11H9F2N3O2S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1F
InChIInChI=1S/C11H9F2N3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)8-2-3-10(14)9(13)5-8/h1-6H,14H2,(H,15,16)
InChIKeyPQACAQGQEHZQGA-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 115329522
3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
CID 115421691
4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844123
N-(5-chloro-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 19683191
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
2-chloro-N-(5-fluoro-2-pyridinyl)pyridine-4-sulfonamide
CID 65482049
5,6-dichloro-N-(5-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 64687580
2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 107090141
3-amino-N-(5-fluoro-2-pyridinyl)pyridine-2-sulfonamide
CID 103306339
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
4-amino-N-(5-fluoro-2-pyridinyl)thiophene-2-sulfonamide
CID 65482445
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 82844573) is 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is PQACAQGQEHZQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)8-2-3-10(14)9(13)5-8/h1-6H,14H2,(H,15,16).
What are the key properties of 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
4-amino-3-fluoro-N-(5-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 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 82844573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).