N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide

C17H13N3O3S — CID 126475231

IUPACN-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide
SMILESO=Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H13N3O3S/c21-12-13-6-8-14(9-7-13)16-17(19-11-10-18-16)20-24(22,23)15-4-2-1-3-5-15/h1-12H,(H,19,20)
InChIKeyPJDXUDGLFTVOIV-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.76
Rot. Bonds5

About N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide

N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide (PubChem CID 126475231) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide
PubChem CID126475231
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide
SMILESO=Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H13N3O3S/c21-12-13-6-8-14(9-7-13)16-17(19-11-10-18-16)20-24(22,23)15-4-2-1-3-5-15/h1-12H,(H,19,20)
InChIKeyPJDXUDGLFTVOIV-UHFFFAOYSA-N
XLogP2.76
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide (CID 126475231) is N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide is O=Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is PJDXUDGLFTVOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-12-13-6-8-14(9-7-13)16-17(19-11-10-18-16)20-24(22,23)15-4-2-1-3-5-15/h1-12H,(H,19,20).
What are the key properties of N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide?
N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 126475231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).