3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide

C22H20ClFN2O4S — CID 5082474

IUPAC3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C22H20ClFN2O4S/c1-2-30-20-10-6-5-9-19(20)26-22(27)15-11-12-18(24)21(13-15)31(28,29)25-14-16-7-3-4-8-17(16)23/h3-13,25H,2,14H2,1H3,(H,26,27)
InChIKeyITKOEMYCRWAHGM-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.61
Rot. Bonds8

About 3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide

3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide (PubChem CID 5082474) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
PubChem CID5082474
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C22H20ClFN2O4S/c1-2-30-20-10-6-5-9-19(20)26-22(27)15-11-12-18(24)21(13-15)31(28,29)25-14-16-7-3-4-8-17(16)23/h3-13,25H,2,14H2,1H3,(H,26,27)
InChIKeyITKOEMYCRWAHGM-UHFFFAOYSA-N
XLogP4.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide (CID 5082474) is 3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide is CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide?
The InChIKey is ITKOEMYCRWAHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-2-30-20-10-6-5-9-19(20)26-22(27)15-11-12-18(24)21(13-15)31(28,29)25-14-16-7-3-4-8-17(16)23/h3-13,25H,2,14H2,1H3,(H,26,27).
What are the key properties of 3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide?
3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide has a molecular weight of 462.93 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 5082474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).