3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide

C16H17FN2O3S — CID 26698365

IUPAC3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2F)c1
InChIInChI=1S/C16H17FN2O3S/c1-3-18-23(21,22)13-6-4-5-12(10-13)16(20)19-15-8-7-11(2)9-14(15)17/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeyXMLDISOSHURAGU-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.68
Rot. Bonds5

About 3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide

3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide (PubChem CID 26698365) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
PubChem CID26698365
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2F)c1
InChIInChI=1S/C16H17FN2O3S/c1-3-18-23(21,22)13-6-4-5-12(10-13)16(20)19-15-8-7-11(2)9-14(15)17/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeyXMLDISOSHURAGU-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
N-(2-ethoxy-4-methylphenyl)-3-(ethylsulfamoyl)benzamide
CID 87047102
3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 51547155
3-(ethylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 33069732
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 4789120
N-(4-chloro-2-fluorophenyl)-4-(ethylsulfamoyl)benzamide
CID 9211461
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide (CID 26698365) is 3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2F)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide?
The InChIKey is XMLDISOSHURAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-3-18-23(21,22)13-6-4-5-12(10-13)16(20)19-15-8-7-11(2)9-14(15)17/h4-10,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide?
3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 26698365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).