3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide

C17H19FN2O3S — CID 109062141

IUPAC3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-12(2)20-17(21)14-4-3-5-16(10-14)24(22,23)19-11-13-6-8-15(18)9-7-13/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyNMWKURHPUZCAGW-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.44
Rot. Bonds6

About 3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide

3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 109062141) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
PubChem CID109062141
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-12(2)20-17(21)14-4-3-5-16(10-14)24(22,23)19-11-13-6-8-15(18)9-7-13/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyNMWKURHPUZCAGW-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-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062787
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
[(1R)-1-(4-fluorophenyl)ethyl] 3-(benzylsulfamoyl)benzoate
CID 7666436
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
CID 4227371
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 46663760
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 27690298
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
CID 109058149
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide (CID 109062141) is 3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is NMWKURHPUZCAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12(2)20-17(21)14-4-3-5-16(10-14)24(22,23)19-11-13-6-8-15(18)9-7-13/h3-10,12,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide?
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide 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 3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 109062141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).