2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide

C11H7ClFN3O4S — CID 104821583

IUPAC2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)n2)c1
InChIInChI=1S/C11H7ClFN3O4S/c12-8-5-4-7(16(17)18)6-9(8)21(19,20)15-11-3-1-2-10(13)14-11/h1-6H,(H,14,15)
InChIKeyFFTGVXBCZQWQHG-UHFFFAOYSA-N
MW331.71 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide

2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide (PubChem CID 104821583) has the molecular formula C11H7ClFN3O4S and a molecular weight of 331.71 g/mol. Its IUPAC name is 2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide
PubChem CID104821583
Molecular FormulaC11H7ClFN3O4S
Molecular Weight331.71 g/mol
Exact Mass330.98
IUPAC Name2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)n2)c1
InChIInChI=1S/C11H7ClFN3O4S/c12-8-5-4-7(16(17)18)6-9(8)21(19,20)15-11-3-1-2-10(13)14-11/h1-6H,(H,14,15)
InChIKeyFFTGVXBCZQWQHG-UHFFFAOYSA-N
XLogP2.58
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.71
LogP ≤ 52.58
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

2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509
2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 60639935
2-chloro-N-(4-methylphenyl)-5-nitrobenzenesulfonamide
CID 2844050
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 116812704
2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912145
N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 104821684
N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 104821758
2-chloro-5-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 4129284
2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
CID 79497162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide (CID 104821583) is 2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)n2)c1.
What is the InChIKey of 2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide?
The InChIKey is FFTGVXBCZQWQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O4S/c12-8-5-4-7(16(17)18)6-9(8)21(19,20)15-11-3-1-2-10(13)14-11/h1-6H,(H,14,15).
What are the key properties of 2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide?
2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide has a molecular weight of 331.71 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 104821583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).