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

C22H20ClFN2O4S — CID 4252806

IUPAC3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-2-30-18-10-8-17(9-11-18)26-22(27)15-7-12-20(24)21(13-15)31(28,29)25-14-16-5-3-4-6-19(16)23/h3-13,25H,2,14H2,1H3,(H,26,27)
InChIKeyNFNAMHKJOOKGDB-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.61
Rot. Bonds8

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

3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide (PubChem CID 4252806) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide
PubChem CID4252806
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-2-30-18-10-8-17(9-11-18)26-22(27)15-7-12-20(24)21(13-15)31(28,29)25-14-16-5-3-4-6-19(16)23/h3-13,25H,2,14H2,1H3,(H,26,27)
InChIKeyNFNAMHKJOOKGDB-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-(4-ethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide (CID 4252806) is 3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide is CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccccc3Cl)c2)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide?
The InChIKey is NFNAMHKJOOKGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-2-30-18-10-8-17(9-11-18)26-22(27)15-7-12-20(24)21(13-15)31(28,29)25-14-16-5-3-4-6-19(16)23/h3-13,25H,2,14H2,1H3,(H,26,27).
What are the key properties of 3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide?
3-[(2-chlorophenyl)methylsulfamoyl]-N-(4-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-(4-ethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 4252806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).