N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide

C21H14F6N2O5S — CID 90466174

IUPACN-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H14F6N2O5S/c22-20(23,24)12-4-9-18(33-14-5-7-15(8-6-14)34-21(25,26)27)17(10-12)19(30)29-13-2-1-3-16(11-13)35(28,31)32/h1-11H,(H,29,30)(H2,28,31,32)
InChIKeyJXJAXLUACVOIAQ-UHFFFAOYSA-N
MW520.41 g/mol
LogP5.30
Rot. Bonds6

About N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide

N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide (PubChem CID 90466174) has the molecular formula C21H14F6N2O5S and a molecular weight of 520.41 g/mol. Its IUPAC name is N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide
PubChem CID90466174
Molecular FormulaC21H14F6N2O5S
Molecular Weight520.41 g/mol
Exact Mass520.05
IUPAC NameN-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H14F6N2O5S/c22-20(23,24)12-4-9-18(33-14-5-7-15(8-6-14)34-21(25,26)27)17(10-12)19(30)29-13-2-1-3-16(11-13)35(28,31)32/h1-11H,(H,29,30)(H2,28,31,32)
InChIKeyJXJAXLUACVOIAQ-UHFFFAOYSA-N
XLogP5.30
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.41
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ML290
CID 56593349
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
[2-[[4-[(4-Sulfamoylphenyl)methylselanyl]phenyl]carbamoyl]phenyl] acetate
CID 145956803
2-(2,2,2-Trifluoroethoxy)-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593305
2-Methoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593314
2-Propoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593316
2-Butoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593322
2-Ehoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593330
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide
CID 90467358
N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 3614029
6-methyl-N-{4-[methyl(phenyl)sulfamoyl]phenyl}-4-oxo-4H-chromene-2-carboxamide
CID 4897311
N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 16235325

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide (CID 90466174) is N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide?
The InChIKey is JXJAXLUACVOIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N2O5S/c22-20(23,24)12-4-9-18(33-14-5-7-15(8-6-14)34-21(25,26)27)17(10-12)19(30)29-13-2-1-3-16(11-13)35(28,31)32/h1-11H,(H,29,30)(H2,28,31,32).
What are the key properties of N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide?
N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide has a molecular weight of 520.41 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90466174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).