2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide

C20H16ClFN2O4S — CID 126393495

IUPAC2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C20H16ClFN2O4S/c21-14-4-6-16(7-5-14)24-29(26,27)19-10-8-18(9-11-19)28-13-20(25)23-17-3-1-2-15(22)12-17/h1-12,24H,13H2,(H,23,25)
InChIKeyFTBLLWFWYQPNQI-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.30
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide

2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide (PubChem CID 126393495) has the molecular formula C20H16ClFN2O4S and a molecular weight of 434.88 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
PubChem CID126393495
Molecular FormulaC20H16ClFN2O4S
Molecular Weight434.88 g/mol
Exact Mass434.05
IUPAC Name2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C20H16ClFN2O4S/c21-14-4-6-16(7-5-14)24-29(26,27)19-10-8-18(9-11-19)28-13-20(25)23-17-3-1-2-15(22)12-17/h1-12,24H,13H2,(H,23,25)
InChIKeyFTBLLWFWYQPNQI-UHFFFAOYSA-N
XLogP4.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide (CID 126393495) is 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide is O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide?
The InChIKey is FTBLLWFWYQPNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O4S/c21-14-4-6-16(7-5-14)24-29(26,27)19-10-8-18(9-11-19)28-13-20(25)23-17-3-1-2-15(22)12-17/h1-12,24H,13H2,(H,23,25).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide?
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide has a molecular weight of 434.88 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 126393495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).