N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide

C23H23FN2O4S — CID 4609699

IUPACN-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C23H23FN2O4S/c1-2-30-22-11-7-6-10-21(22)26-23(27)19-16-18(12-13-20(19)24)31(28,29)25-15-14-17-8-4-3-5-9-17/h3-13,16,25H,2,14-15H2,1H3,(H,26,27)
InChIKeyFYXASZCTROQKHL-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.00
Rot. Bonds9

About N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide

N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide (PubChem CID 4609699) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
PubChem CID4609699
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC NameN-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C23H23FN2O4S/c1-2-30-22-11-7-6-10-21(22)26-23(27)19-16-18(12-13-20(19)24)31(28,29)25-15-14-17-8-4-3-5-9-17/h3-13,16,25H,2,14-15H2,1H3,(H,26,27)
InChIKeyFYXASZCTROQKHL-UHFFFAOYSA-N
XLogP4.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide (CID 4609699) is N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide is CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F.
What is the InChIKey of N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The InChIKey is FYXASZCTROQKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-2-30-22-11-7-6-10-21(22)26-23(27)19-16-18(12-13-20(19)24)31(28,29)25-15-14-17-8-4-3-5-9-17/h3-13,16,25H,2,14-15H2,1H3,(H,26,27).
What are the key properties of N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide has a molecular weight of 442.51 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 4609699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).