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

C16H17FN2O4S — CID 78866825

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O4S/c1-18-24(22,23)14-4-2-3-12(9-14)16(21)19-10-15(20)11-5-7-13(17)8-6-11/h2-9,15,18,20H,10H2,1H3,(H,19,21)
InChIKeyISBRVJPEXOVELT-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.20
Rot. Bonds6

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

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide (PubChem CID 78866825) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide
PubChem CID78866825
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O4S/c1-18-24(22,23)14-4-2-3-12(9-14)16(21)19-10-15(20)11-5-7-13(17)8-6-11/h2-9,15,18,20H,10H2,1H3,(H,19,21)
InChIKeyISBRVJPEXOVELT-UHFFFAOYSA-N
XLogP1.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111458155
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9302470
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-nitrobenzamide
CID 110888918
3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062787
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78897097
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 36897387
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55652546
[(2S)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 9320873
N-[(2R)-2-(ethylamino)propyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 120651903
3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 55655492
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide (CID 78866825) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is ISBRVJPEXOVELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-18-24(22,23)14-4-2-3-12(9-14)16(21)19-10-15(20)11-5-7-13(17)8-6-11/h2-9,15,18,20H,10H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 78866825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).