4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide

C23H24FN3O3S — CID 43017074

IUPAC4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1
InChIInChI=1S/C23H24FN3O3S/c1-27(19-8-3-2-4-9-19)17-7-16-25-23(28)18-12-14-20(15-13-18)31(29,30)26-22-11-6-5-10-21(22)24/h2-6,8-15,26H,7,16-17H2,1H3,(H,25,28)
InChIKeyCFQZMHDWCJXHJA-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.88
Rot. Bonds9

About 4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide

4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 43017074) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID43017074
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1
InChIInChI=1S/C23H24FN3O3S/c1-27(19-8-3-2-4-9-19)17-7-16-25-23(28)18-12-14-20(15-13-18)31(29,30)26-22-11-6-5-10-21(22)24/h2-6,8-15,26H,7,16-17H2,1H3,(H,25,28)
InChIKeyCFQZMHDWCJXHJA-UHFFFAOYSA-N
XLogP3.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide
CID 27647283
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27040602
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407931
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 27753837
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724828

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide (CID 43017074) is 4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is CFQZMHDWCJXHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-27(19-8-3-2-4-9-19)17-7-16-25-23(28)18-12-14-20(15-13-18)31(29,30)26-22-11-6-5-10-21(22)24/h2-6,8-15,26H,7,16-17H2,1H3,(H,25,28).
What are the key properties of 4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide?
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 43017074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).