3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C17H17F3N2O3S — CID 46449027

IUPAC3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3N2O3S/c1-11(12-6-8-14(9-7-12)17(18,19)20)22-16(23)13-4-3-5-15(10-13)26(24,25)21-2/h3-11,21H,1-2H3,(H,22,23)
InChIKeyKJBWSARDRVBUHP-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.10
Rot. Bonds5

About 3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 46449027) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID46449027
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3N2O3S/c1-11(12-6-8-14(9-7-12)17(18,19)20)22-16(23)13-4-3-5-15(10-13)26(24,25)21-2/h3-11,21H,1-2H3,(H,22,23)
InChIKeyKJBWSARDRVBUHP-UHFFFAOYSA-N
XLogP3.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 133231293
3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 43062333
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40953695
3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354866
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
CID 51177532
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46449405
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 42919490
3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764022
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
1-[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95701553

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 46449027) is 3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is CNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is KJBWSARDRVBUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-11(12-6-8-14(9-7-12)17(18,19)20)22-16(23)13-4-3-5-15(10-13)26(24,25)21-2/h3-11,21H,1-2H3,(H,22,23).
What are the key properties of 3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 386.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 46449027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).