(2,4-difluoro-3-formylphenyl)methanesulfonamide

C8H7F2NO3S — CID 141294322

IUPAC(2,4-difluoro-3-formylphenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(F)c(C=O)c1F
InChIInChI=1S/C8H7F2NO3S/c9-7-2-1-5(4-15(11,13)14)8(10)6(7)3-12/h1-3H,4H2,(H2,11,13,14)
InChIKeyNEVZUGQWEMSMDW-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.57
Rot. Bonds3

About (2,4-difluoro-3-formylphenyl)methanesulfonamide

(2,4-difluoro-3-formylphenyl)methanesulfonamide (PubChem CID 141294322) has the molecular formula C8H7F2NO3S and a molecular weight of 235.21 g/mol. Its IUPAC name is (2,4-difluoro-3-formylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(2,4-difluoro-3-formylphenyl)methanesulfonamide
PubChem CID141294322
Molecular FormulaC8H7F2NO3S
Molecular Weight235.21 g/mol
Exact Mass235.01
IUPAC Name(2,4-difluoro-3-formylphenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(F)c(C=O)c1F
InChIInChI=1S/C8H7F2NO3S/c9-7-2-1-5(4-15(11,13)14)8(10)6(7)3-12/h1-3H,4H2,(H2,11,13,14)
InChIKeyNEVZUGQWEMSMDW-UHFFFAOYSA-N
XLogP0.57
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-fluorophenyl)methanesulfonamide
CID 61064236
2,6-difluoro-3-methylbenzaldehyde
CID 2774137
2,3-difluoro-6-(hydroxymethyl)benzaldehyde
CID 169274886
(2-bromo-4-chlorophenyl)methanesulfonamide
CID 71683198
3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde
CID 142766285
N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide
CID 87087736
N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide
CID 53419003
(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
CID 84806660
(2,4-difluoro-3-formylphenyl) propane-1-sulfonate
CID 90735941
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2,6-difluorobenzaldehyde
CID 155701750
2,6-difluoro-3-(4-methylphenyl)benzaldehyde
CID 164894314
(2,4-dibromophenyl)methanesulfonamide
CID 107944156

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-formylphenyl)methanesulfonamide?
The IUPAC name of (2,4-difluoro-3-formylphenyl)methanesulfonamide (CID 141294322) is (2,4-difluoro-3-formylphenyl)methanesulfonamide.
What is the SMILES notation for (2,4-difluoro-3-formylphenyl)methanesulfonamide?
The canonical SMILES for (2,4-difluoro-3-formylphenyl)methanesulfonamide is NS(=O)(=O)Cc1ccc(F)c(C=O)c1F.
What is the InChIKey of (2,4-difluoro-3-formylphenyl)methanesulfonamide?
The InChIKey is NEVZUGQWEMSMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3S/c9-7-2-1-5(4-15(11,13)14)8(10)6(7)3-12/h1-3H,4H2,(H2,11,13,14).
What are the key properties of (2,4-difluoro-3-formylphenyl)methanesulfonamide?
(2,4-difluoro-3-formylphenyl)methanesulfonamide has a molecular weight of 235.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-formylphenyl)methanesulfonamide is sourced from PubChem (CID 141294322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).