N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide

C22H21FN2O3S — CID 4571992

IUPACN-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O3S/c1-25(20-5-3-2-4-6-20)29(27,28)21-13-9-18(10-14-21)22(26)24-16-15-17-7-11-19(23)12-8-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyAHUHFGMIDSZCJW-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.62
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide

N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 4571992) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID4571992
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O3S/c1-25(20-5-3-2-4-6-20)29(27,28)21-13-9-18(10-14-21)22(26)24-16-15-17-7-11-19(23)12-8-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyAHUHFGMIDSZCJW-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 4571992) is N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is AHUHFGMIDSZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-25(20-5-3-2-4-6-20)29(27,28)21-13-9-18(10-14-21)22(26)24-16-15-17-7-11-19(23)12-8-17/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4571992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).