N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide

C17H19FN2O3S — CID 26796224

IUPACN-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-12(2)20-24(22,23)16-5-3-4-14(10-16)17(21)19-11-13-6-8-15(18)9-7-13/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyCBNLWYHOJPSVIM-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.44
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide

N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26796224) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID26796224
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-12(2)20-24(22,23)16-5-3-4-14(10-16)17(21)19-11-13-6-8-15(18)9-7-13/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyCBNLWYHOJPSVIM-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062787
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141
5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245913
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
CID 46400175
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46691310
3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 46582053

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 26796224) is N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is CBNLWYHOJPSVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12(2)20-24(22,23)16-5-3-4-14(10-16)17(21)19-11-13-6-8-15(18)9-7-13/h3-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26796224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).