3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide

C11H7F2N3O4S — CID 103871850

IUPAC3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1F
InChIInChI=1S/C11H7F2N3O4S/c12-9-5-8(2-3-10(9)16(17)18)21(19,20)15-7-1-4-11(13)14-6-7/h1-6,15H
InChIKeyJZENZALHWGVSAP-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.07
Rot. Bonds4

About 3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide

3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide (PubChem CID 103871850) has the molecular formula C11H7F2N3O4S and a molecular weight of 315.26 g/mol. Its IUPAC name is 3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide
PubChem CID103871850
Molecular FormulaC11H7F2N3O4S
Molecular Weight315.26 g/mol
Exact Mass315.01
IUPAC Name3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1F
InChIInChI=1S/C11H7F2N3O4S/c12-9-5-8(2-3-10(9)16(17)18)21(19,20)15-7-1-4-11(13)14-6-7/h1-6,15H
InChIKeyJZENZALHWGVSAP-UHFFFAOYSA-N
XLogP2.07
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(3-fluorophenyl)-4-nitrobenzenesulfonamide
CID 82813223
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82813222
N-(3-chloropyrazin-2-yl)-3-fluoro-4-nitrobenzenesulfonamide
CID 102989939
3-fluoro-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 82854963
3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide
CID 82847321
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775753
3-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)-4-nitrobenzenesulfonamide
CID 82843001
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 115869758
4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide
CID 81496749
N-tert-butyl-3-fluoro-4-nitrobenzenesulfonamide
CID 82844200

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide (CID 103871850) is 3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1F.
What is the InChIKey of 3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide?
The InChIKey is JZENZALHWGVSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O4S/c12-9-5-8(2-3-10(9)16(17)18)21(19,20)15-7-1-4-11(13)14-6-7/h1-6,15H.
What are the key properties of 3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide?
3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide has a molecular weight of 315.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 103871850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).