N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide

C10H12FNO3S — CID 91341081

IUPACN-(4-fluoro-2-formylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)cc1C=O
InChIInChI=1S/C10H12FNO3S/c1-2-5-16(14,15)12-10-4-3-9(11)6-8(10)7-13/h3-4,6-7,12H,2,5H2,1H3
InChIKeyXZRLBNURQMLKDQ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.79
Rot. Bonds5

About N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide

N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide (PubChem CID 91341081) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-formylphenyl)propane-1-sulfonamide
PubChem CID91341081
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC NameN-(4-fluoro-2-formylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)cc1C=O
InChIInChI=1S/C10H12FNO3S/c1-2-5-16(14,15)12-10-4-3-9(11)6-8(10)7-13/h3-4,6-7,12H,2,5H2,1H3
InChIKeyXZRLBNURQMLKDQ-UHFFFAOYSA-N
XLogP1.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.79
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-(4-fluoro-2-formylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide (CID 91341081) is N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)cc1C=O.
What is the InChIKey of N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide?
The InChIKey is XZRLBNURQMLKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-2-5-16(14,15)12-10-4-3-9(11)6-8(10)7-13/h3-4,6-7,12H,2,5H2,1H3.
What are the key properties of N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide?
N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide has a molecular weight of 245.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-formylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 91341081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).