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

C17H19FN2O3S — CID 4789120

IUPACN-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C17H19FN2O3S/c1-3-9-19-24(22,23)15-6-4-5-13(11-15)17(21)20-16-8-7-14(18)10-12(16)2/h4-8,10-11,19H,3,9H2,1-2H3,(H,20,21)
InChIKeyOMWFLFIEOCNTCZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.07
Rot. Bonds6

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

N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide (PubChem CID 4789120) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide
PubChem CID4789120
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C17H19FN2O3S/c1-3-9-19-24(22,23)15-6-4-5-13(11-15)17(21)20-16-8-7-14(18)10-12(16)2/h4-8,10-11,19H,3,9H2,1-2H3,(H,20,21)
InChIKeyOMWFLFIEOCNTCZ-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

N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061918
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide
CID 26711987
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
3-(ethylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 33069732
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26698365
3-fluoro-N-propylbenzenesulfonamide
CID 43212857

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide (CID 4789120) is N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2C)c1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide?
The InChIKey is OMWFLFIEOCNTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-3-9-19-24(22,23)15-6-4-5-13(11-15)17(21)20-16-8-7-14(18)10-12(16)2/h4-8,10-11,19H,3,9H2,1-2H3,(H,20,21).
What are the key properties of N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide?
N-(4-fluoro-2-methylphenyl)-3-(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 N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 4789120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).