N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide

C17H19FN2O3S — CID 7618292

IUPACN-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-20(13-14-5-3-2-4-6-14)24(22,23)12-11-19-17(21)15-7-9-16(18)10-8-15/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyMQARLAQVFKVIHG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.02
Rot. Bonds7

About N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide

N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide (PubChem CID 7618292) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide
PubChem CID7618292
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-20(13-14-5-3-2-4-6-14)24(22,23)12-11-19-17(21)15-7-9-16(18)10-8-15/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyMQARLAQVFKVIHG-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 110674327
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
N-[2-(dipropylsulfamoyl)ethyl]-4-fluorobenzamide
CID 7618277
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide
CID 110674320
4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287677
N-[2-[[N-[(4-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111306707
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
N-[2-(4-fluorophenyl)ethyl]-4-[(N-methylsulfonyl-2-phenylanilino)methyl]benzamide
CID 100501509

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide (CID 7618292) is N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide is CN(Cc1ccccc1)S(=O)(=O)CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide?
The InChIKey is MQARLAQVFKVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-20(13-14-5-3-2-4-6-14)24(22,23)12-11-19-17(21)15-7-9-16(18)10-8-15/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide?
N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 7618292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).