2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide

C16H12F6N2O4S — CID 2080031

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H12F6N2O4S/c17-15(18,19)9-5-10(16(20,21)22)7-12(6-9)28-8-14(25)24-11-1-3-13(4-2-11)29(23,26)27/h1-7H,8H2,(H,24,25)(H2,23,26,27)
InChIKeyPSGIVLHEELEYPE-UHFFFAOYSA-N
MW442.34 g/mol
LogP3.39
Rot. Bonds5

About 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2080031) has the molecular formula C16H12F6N2O4S and a molecular weight of 442.34 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2080031
Molecular FormulaC16H12F6N2O4S
Molecular Weight442.34 g/mol
Exact Mass442.04
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H12F6N2O4S/c17-15(18,19)9-5-10(16(20,21)22)7-12(6-9)28-8-14(25)24-11-1-3-13(4-2-11)29(23,26)27/h1-7H,8H2,(H,24,25)(H2,23,26,27)
InChIKeyPSGIVLHEELEYPE-UHFFFAOYSA-N
XLogP3.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 16526072
4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide
CID 112836068
2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 1120128
2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16526088
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide
CID 112845789
2-(3-methoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 19204089
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(dimethylsulfamoyl)phenoxy]acetamide
CID 28554728
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 2608529
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 2080031) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is PSGIVLHEELEYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2O4S/c17-15(18,19)9-5-10(16(20,21)22)7-12(6-9)28-8-14(25)24-11-1-3-13(4-2-11)29(23,26)27/h1-7H,8H2,(H,24,25)(H2,23,26,27).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 442.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2080031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).