5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide

C23H23FN2O3S — CID 4068448

IUPAC5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2F)cc1
InChIInChI=1S/C23H23FN2O3S/c1-3-17-9-11-19(12-10-17)25-23(27)21-15-20(13-14-22(21)24)30(28,29)26(2)16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyICSDHIJEKIHURW-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.46
Rot. Bonds7

About 5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide

5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide (PubChem CID 4068448) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
PubChem CID4068448
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2F)cc1
InChIInChI=1S/C23H23FN2O3S/c1-3-17-9-11-19(12-10-17)25-23(27)21-15-20(13-14-22(21)24)30(28,29)26(2)16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyICSDHIJEKIHURW-UHFFFAOYSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(ethyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 5153096
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
CID 2404495
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 135785375
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
CID 96566230
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide (CID 4068448) is 5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide is CCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2F)cc1.
What is the InChIKey of 5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide?
The InChIKey is ICSDHIJEKIHURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-3-17-9-11-19(12-10-17)25-23(27)21-15-20(13-14-22(21)24)30(28,29)26(2)16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of 5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide?
5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide has a molecular weight of 426.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 4068448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).