N-(2-fluoro-6-formylphenyl)methanesulfonamide

C8H8FNO3S — CID 131556549

IUPACN-(2-fluoro-6-formylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1c(F)cccc1C=O
InChIInChI=1S/C8H8FNO3S/c1-14(12,13)10-8-6(5-11)3-2-4-7(8)9/h2-5,10H,1H3
InChIKeyWPFTTWJVVTXFCZ-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.01
Rot. Bonds3

About N-(2-fluoro-6-formylphenyl)methanesulfonamide

N-(2-fluoro-6-formylphenyl)methanesulfonamide (PubChem CID 131556549) has the molecular formula C8H8FNO3S and a molecular weight of 217.22 g/mol. Its IUPAC name is N-(2-fluoro-6-formylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-6-formylphenyl)methanesulfonamide
PubChem CID131556549
Molecular FormulaC8H8FNO3S
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC NameN-(2-fluoro-6-formylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1c(F)cccc1C=O
InChIInChI=1S/C8H8FNO3S/c1-14(12,13)10-8-6(5-11)3-2-4-7(8)9/h2-5,10H,1H3
InChIKeyWPFTTWJVVTXFCZ-UHFFFAOYSA-N
XLogP1.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.01
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-fluoro-6-formylphenyl)methanesulfonamide?
The IUPAC name of N-(2-fluoro-6-formylphenyl)methanesulfonamide (CID 131556549) is N-(2-fluoro-6-formylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-fluoro-6-formylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-fluoro-6-formylphenyl)methanesulfonamide is CS(=O)(=O)Nc1c(F)cccc1C=O.
What is the InChIKey of N-(2-fluoro-6-formylphenyl)methanesulfonamide?
The InChIKey is WPFTTWJVVTXFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3S/c1-14(12,13)10-8-6(5-11)3-2-4-7(8)9/h2-5,10H,1H3.
What are the key properties of N-(2-fluoro-6-formylphenyl)methanesulfonamide?
N-(2-fluoro-6-formylphenyl)methanesulfonamide has a molecular weight of 217.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-formylphenyl)methanesulfonamide is sourced from PubChem (CID 131556549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).