2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide

C14H21FN2O5S — CID 55407905

IUPAC2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)NCCCOCCOC)c1
InChIInChI=1S/C14H21FN2O5S/c1-16-23(19,20)11-4-5-13(15)12(10-11)14(18)17-6-3-7-22-9-8-21-2/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18)
InChIKeySDCKSNSOKAHDAU-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.52
Rot. Bonds10

About 2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide

2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide (PubChem CID 55407905) has the molecular formula C14H21FN2O5S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide
PubChem CID55407905
Molecular FormulaC14H21FN2O5S
Molecular Weight348.40 g/mol
Exact Mass348.12
IUPAC Name2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)NCCCOCCOC)c1
InChIInChI=1S/C14H21FN2O5S/c1-16-23(19,20)11-4-5-13(15)12(10-11)14(18)17-6-3-7-22-9-8-21-2/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18)
InChIKeySDCKSNSOKAHDAU-UHFFFAOYSA-N
XLogP0.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367662
2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55945095
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029639
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
butyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18169512
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407931
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111406253
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
[2-oxo-2-(pentylamino)ethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 34876926

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide (CID 55407905) is 2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(F)c(C(=O)NCCCOCCOC)c1.
What is the InChIKey of 2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide?
The InChIKey is SDCKSNSOKAHDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O5S/c1-16-23(19,20)11-4-5-13(15)12(10-11)14(18)17-6-3-7-22-9-8-21-2/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide?
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide has a molecular weight of 348.40 g/mol, XLogP of 0.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55407905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).