N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide

C17H19FN2O4S — CID 110315444

IUPACN-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide
SMILESCCc1cc(S(N)(=O)=O)ccc1OCCNC(=O)c1ccccc1F
InChIInChI=1S/C17H19FN2O4S/c1-2-12-11-13(25(19,22)23)7-8-16(12)24-10-9-20-17(21)14-5-3-4-6-15(14)18/h3-8,11H,2,9-10H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyMWZQLAUYUQSZPV-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.84
Rot. Bonds7

About N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide

N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide (PubChem CID 110315444) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide
PubChem CID110315444
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide
SMILESCCc1cc(S(N)(=O)=O)ccc1OCCNC(=O)c1ccccc1F
InChIInChI=1S/C17H19FN2O4S/c1-2-12-11-13(25(19,22)23)7-8-16(12)24-10-9-20-17(21)14-5-3-4-6-15(14)18/h3-8,11H,2,9-10H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyMWZQLAUYUQSZPV-UHFFFAOYSA-N
XLogP1.84
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide
CID 110315454
N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
CID 74246247
2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide
CID 65388369
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642
N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide
CID 26676757
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide (CID 110315444) is N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide is CCc1cc(S(N)(=O)=O)ccc1OCCNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide?
The InChIKey is MWZQLAUYUQSZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-2-12-11-13(25(19,22)23)7-8-16(12)24-10-9-20-17(21)14-5-3-4-6-15(14)18/h3-8,11H,2,9-10H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide?
N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide has a molecular weight of 366.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 110315444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).