3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide

C22H27FN2O3S — CID 3337288

IUPAC3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(C)C3CCCCC3)c2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-3-16-9-12-18(13-10-16)24-22(26)17-11-14-20(23)21(15-17)29(27,28)25(2)19-7-5-4-6-8-19/h9-15,19H,3-8H2,1-2H3,(H,24,26)
InChIKeyHSZVTHZWHWUZKH-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.59
Rot. Bonds6

About 3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide

3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide (PubChem CID 3337288) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide
PubChem CID3337288
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(C)C3CCCCC3)c2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-3-16-9-12-18(13-10-16)24-22(26)17-11-14-20(23)21(15-17)29(27,28)25(2)19-7-5-4-6-8-19/h9-15,19H,3-8H2,1-2H3,(H,24,26)
InChIKeyHSZVTHZWHWUZKH-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide?
The IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide (CID 3337288) is 3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide is CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(C)C3CCCCC3)c2)cc1.
What is the InChIKey of 3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide?
The InChIKey is HSZVTHZWHWUZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-3-16-9-12-18(13-10-16)24-22(26)17-11-14-20(23)21(15-17)29(27,28)25(2)19-7-5-4-6-8-19/h9-15,19H,3-8H2,1-2H3,(H,24,26).
What are the key properties of 3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide?
3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide has a molecular weight of 418.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 3337288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).