N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide

C13H9F2NO3S — CID 58316974

IUPACN-(2,4-difluoro-3-formylphenyl)benzenesulfonamide
SMILESO=Cc1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C13H9F2NO3S/c14-11-6-7-12(13(15)10(11)8-17)16-20(18,19)9-4-2-1-3-5-9/h1-8,16H
InChIKeyZQKDLTZEWBGPBE-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.58
Rot. Bonds4

About N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide

N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide (PubChem CID 58316974) has the molecular formula C13H9F2NO3S and a molecular weight of 297.28 g/mol. Its IUPAC name is N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-formylphenyl)benzenesulfonamide
PubChem CID58316974
Molecular FormulaC13H9F2NO3S
Molecular Weight297.28 g/mol
Exact Mass297.03
IUPAC NameN-(2,4-difluoro-3-formylphenyl)benzenesulfonamide
SMILESO=Cc1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C13H9F2NO3S/c14-11-6-7-12(13(15)10(11)8-17)16-20(18,19)9-4-2-1-3-5-9/h1-8,16H
InChIKeyZQKDLTZEWBGPBE-UHFFFAOYSA-N
XLogP2.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,4-difluoro-3-formylphenyl)benzenesulfonamide?
The IUPAC name of N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide (CID 58316974) is N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide is O=Cc1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide?
The InChIKey is ZQKDLTZEWBGPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3S/c14-11-6-7-12(13(15)10(11)8-17)16-20(18,19)9-4-2-1-3-5-9/h1-8,16H.
What are the key properties of N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide?
N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide has a molecular weight of 297.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-formylphenyl)benzenesulfonamide is sourced from PubChem (CID 58316974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).