N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide

C10H11F2NO3S — CID 53419003

IUPACN-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F
InChIInChI=1S/C10H11F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,6,13H,2,5H2,1H3
InChIKeyRWAQKKCELAQLHO-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.93
Rot. Bonds5

About N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide

N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide (PubChem CID 53419003) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide
PubChem CID53419003
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC NameN-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F
InChIInChI=1S/C10H11F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,6,13H,2,5H2,1H3
InChIKeyRWAQKKCELAQLHO-UHFFFAOYSA-N
XLogP1.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.93
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)propane-1-sulfonamide?
The IUPAC name of N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide (CID 53419003) is N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F.
What is the InChIKey of N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide?
The InChIKey is RWAQKKCELAQLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,6,13H,2,5H2,1H3.
What are the key properties of N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide?
N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide has a molecular weight of 263.26 g/mol, XLogP of 1.93, 5 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)propane-1-sulfonamide is sourced from PubChem (CID 53419003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).