5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide

C11H14FNO3S — CID 58126895

IUPAC5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(F)ccc1CCC=O
InChIInChI=1S/C11H14FNO3S/c1-13(2)17(15,16)11-8-10(12)6-5-9(11)4-3-7-14/h5-8H,3-4H2,1-2H3
InChIKeyLFAHHHHMBXZUBS-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.21
Rot. Bonds5

About 5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide

5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide (PubChem CID 58126895) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide
PubChem CID58126895
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(F)ccc1CCC=O
InChIInChI=1S/C11H14FNO3S/c1-13(2)17(15,16)11-8-10(12)6-5-9(11)4-3-7-14/h5-8H,3-4H2,1-2H3
InChIKeyLFAHHHHMBXZUBS-UHFFFAOYSA-N
XLogP1.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
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 5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide (CID 58126895) is 5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide is CN(C)S(=O)(=O)c1cc(F)ccc1CCC=O.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide?
The InChIKey is LFAHHHHMBXZUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-13(2)17(15,16)11-8-10(12)6-5-9(11)4-3-7-14/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide?
5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide has a molecular weight of 259.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-(3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 58126895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).