N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide

C12H9FN2O3S — CID 155684724

IUPACN-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C12H9FN2O3S/c13-11-3-1-2-4-12(11)15-19(17,18)10-6-5-9(8-16)14-7-10/h1-8,15H
InChIKeyVRJKVXSUTOARNA-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.83
Rot. Bonds4

About N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide

N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide (PubChem CID 155684724) has the molecular formula C12H9FN2O3S and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide
PubChem CID155684724
Molecular FormulaC12H9FN2O3S
Molecular Weight280.28 g/mol
Exact Mass280.03
IUPAC NameN-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C12H9FN2O3S/c13-11-3-1-2-4-12(11)15-19(17,18)10-6-5-9(8-16)14-7-10/h1-8,15H
InChIKeyVRJKVXSUTOARNA-UHFFFAOYSA-N
XLogP1.83
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide (CID 155684724) is N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide is O=Cc1ccc(S(=O)(=O)Nc2ccccc2F)cn1.
What is the InChIKey of N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide?
The InChIKey is VRJKVXSUTOARNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3S/c13-11-3-1-2-4-12(11)15-19(17,18)10-6-5-9(8-16)14-7-10/h1-8,15H.
What are the key properties of N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide?
N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide has a molecular weight of 280.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-formylpyridine-3-sulfonamide is sourced from PubChem (CID 155684724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).