N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C17H17F3N2O4S — CID 26500843

IUPACN-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-26-10-9-21-16(23)12-5-7-15(8-6-12)27(24,25)22-14-4-2-3-13(11-14)17(18,19)20/h2-8,11,22H,9-10H2,1H3,(H,21,23)
InChIKeyXNNWETSSODQXLD-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.88
Rot. Bonds7

About N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 26500843) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID26500843
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-26-10-9-21-16(23)12-5-7-15(8-6-12)27(24,25)22-14-4-2-3-13(11-14)17(18,19)20/h2-8,11,22H,9-10H2,1H3,(H,21,23)
InChIKeyXNNWETSSODQXLD-UHFFFAOYSA-N
XLogP2.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
N-[2-[di(propan-2-yl)amino]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 27231354
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109059730
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967
N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833684
N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 6616643
N-[(2R)-1-methoxypropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26796911
N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 52599921
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24542683

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 26500843) is N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is COCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is XNNWETSSODQXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-26-10-9-21-16(23)12-5-7-15(8-6-12)27(24,25)22-14-4-2-3-13(11-14)17(18,19)20/h2-8,11,22H,9-10H2,1H3,(H,21,23).
What are the key properties of N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 402.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 26500843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).