4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C17H17F3N2O3S — CID 27774274

IUPAC4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-21-26(24,25)15-8-4-13(5-9-15)16(23)22-11-10-12-2-6-14(7-3-12)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyYKZSHYOKOGTCNC-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.59
Rot. Bonds6

About 4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 27774274) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID27774274
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-21-26(24,25)15-8-4-13(5-9-15)16(23)22-11-10-12-2-6-14(7-3-12)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyYKZSHYOKOGTCNC-UHFFFAOYSA-N
XLogP2.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657
5-(dimethylsulfamoyl)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17488969
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55587041
N-[2-[4-(methylsulfamoyl)-2-nitroanilino]ethyl]-4-(trifluoromethyl)benzamide
CID 24661935
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 47043794

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 27774274) is 4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is CNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is YKZSHYOKOGTCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-21-26(24,25)15-8-4-13(5-9-15)16(23)22-11-10-12-2-6-14(7-3-12)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23).
What are the key properties of 4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 386.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 27774274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).