3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide

C18H21FN2O3S — CID 109062787

IUPAC3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3S/c1-13(2)11-20-18(22)15-4-3-5-17(10-15)25(23,24)21-12-14-6-8-16(19)9-7-14/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyMBVITZGDBTVOPP-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.69
Rot. Bonds7

About 3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide

3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide (PubChem CID 109062787) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
PubChem CID109062787
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3S/c1-13(2)11-20-18(22)15-4-3-5-17(10-15)25(23,24)21-12-14-6-8-16(19)9-7-14/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyMBVITZGDBTVOPP-UHFFFAOYSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 27690298
3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109064621
N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062685
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
[(1R)-1-(4-fluorophenyl)ethyl] 3-(benzylsulfamoyl)benzoate
CID 7666436
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide
CID 78866825
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9302470
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide (CID 109062787) is 3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide?
The InChIKey is MBVITZGDBTVOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13(2)11-20-18(22)15-4-3-5-17(10-15)25(23,24)21-12-14-6-8-16(19)9-7-14/h3-10,13,21H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide?
3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide has a molecular weight of 364.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 109062787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).