2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

C16H16ClFN2O4S — CID 134002717

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(F)c(Cl)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H16ClFN2O4S/c1-10(11-3-2-4-13(7-11)25(19,22)23)20-16(21)9-24-12-5-6-15(18)14(17)8-12/h2-8,10H,9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeySSODQKWIAMOSQE-UHFFFAOYSA-N
MW386.83 g/mol
LogP2.38
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (PubChem CID 134002717) has the molecular formula C16H16ClFN2O4S and a molecular weight of 386.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
PubChem CID134002717
Molecular FormulaC16H16ClFN2O4S
Molecular Weight386.83 g/mol
Exact Mass386.05
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(F)c(Cl)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H16ClFN2O4S/c1-10(11-3-2-4-13(7-11)25(19,22)23)20-16(21)9-24-12-5-6-15(18)14(17)8-12/h2-8,10H,9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeySSODQKWIAMOSQE-UHFFFAOYSA-N
XLogP2.38
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213474
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213570
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-phenylacetamide
CID 56811334
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
2-(3-chloro-4-fluorophenoxy)-N-(1-hydroxy-3-phenylbutan-2-yl)acetamide
CID 146087967
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213542
N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 119586940
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9229558
(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 119364207

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (CID 134002717) is 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is CC(NC(=O)COc1ccc(F)c(Cl)c1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is SSODQKWIAMOSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O4S/c1-10(11-3-2-4-13(7-11)25(19,22)23)20-16(21)9-24-12-5-6-15(18)14(17)8-12/h2-8,10H,9H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 386.83 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 134002717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).