2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide

C17H19FN2O3S — CID 5056641

IUPAC2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C17H19FN2O3S/c1-3-9-19-24(22,23)14-7-8-16(18)15(11-14)17(21)20-13-6-4-5-12(2)10-13/h4-8,10-11,19H,3,9H2,1-2H3,(H,20,21)
InChIKeyMNWDVBOZSGDYTL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.07
Rot. Bonds6

About 2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide

2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide (PubChem CID 5056641) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide
PubChem CID5056641
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C17H19FN2O3S/c1-3-9-19-24(22,23)14-7-8-16(18)15(11-14)17(21)20-13-6-4-5-12(2)10-13/h4-8,10-11,19H,3,9H2,1-2H3,(H,20,21)
InChIKeyMNWDVBOZSGDYTL-UHFFFAOYSA-N
XLogP3.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 25038796
5-(cyclopentylsulfamoyl)-2-fluoro-N-(3-methylphenyl)benzamide
CID 5157745
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
N-(3-chlorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 3348242
2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352261
2,6-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17146819
2,4-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352115
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197
2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 30489963
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide (CID 5056641) is 2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide?
The InChIKey is MNWDVBOZSGDYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-3-9-19-24(22,23)14-7-8-16(18)15(11-14)17(21)20-13-6-4-5-12(2)10-13/h4-8,10-11,19H,3,9H2,1-2H3,(H,20,21).
What are the key properties of 2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide?
2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide is sourced from PubChem (CID 5056641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).