2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

C21H17F3N2O4S — CID 90466027

IUPAC2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H17F3N2O4S/c1-13-5-2-3-8-18(13)30-19-10-9-14(21(22,23)24)11-17(19)20(27)26-15-6-4-7-16(12-15)31(25,28)29/h2-12H,1H3,(H,26,27)(H2,25,28,29)
InChIKeyDXZADLVAEBEKFX-UHFFFAOYSA-N
MW450.44 g/mol
LogP4.71
Rot. Bonds5

About 2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 90466027) has the molecular formula C21H17F3N2O4S and a molecular weight of 450.44 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID90466027
Molecular FormulaC21H17F3N2O4S
Molecular Weight450.44 g/mol
Exact Mass450.09
IUPAC Name2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H17F3N2O4S/c1-13-5-2-3-8-18(13)30-19-10-9-14(21(22,23)24)11-17(19)20(27)26-15-6-4-7-16(12-15)31(25,28)29/h2-12H,1H3,(H,26,27)(H2,25,28,29)
InChIKeyDXZADLVAEBEKFX-UHFFFAOYSA-N
XLogP4.71
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
N-(3-(3-methylbenzamido)phenyl)-2-(trifluoromethoxy)benzamide
CID 50919320
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-Methoxy-N-(2-((3-((trifluoromethyl)thio)phenyl)carbamoyl)phenyl)benzamide
CID 56593315
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
6,8-dimethyl-4-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]-4H-chromene-2-carboxamide
CID 2026510

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (CID 90466027) is 2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is Cc1ccccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is DXZADLVAEBEKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O4S/c1-13-5-2-3-8-18(13)30-19-10-9-14(21(22,23)24)11-17(19)20(27)26-15-6-4-7-16(12-15)31(25,28)29/h2-12H,1H3,(H,26,27)(H2,25,28,29).
What are the key properties of 2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 450.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90466027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).