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

C17H14F6N2O4S — CID 16526072

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14F6N2O4S/c1-9(15(26)25-12-2-4-14(5-3-12)30(24,27)28)29-13-7-10(16(18,19)20)6-11(8-13)17(21,22)23/h2-9H,1H3,(H,25,26)(H2,24,27,28)
InChIKeyDUMQRVTUOZSMPX-UHFFFAOYSA-N
MW456.36 g/mol
LogP3.78
Rot. Bonds5

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

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 16526072) has the molecular formula C17H14F6N2O4S and a molecular weight of 456.36 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
PubChem CID16526072
Molecular FormulaC17H14F6N2O4S
Molecular Weight456.36 g/mol
Exact Mass456.06
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14F6N2O4S/c1-9(15(26)25-12-2-4-14(5-3-12)30(24,27)28)29-13-7-10(16(18,19)20)6-11(8-13)17(21,22)23/h2-9H,1H3,(H,25,26)(H2,24,27,28)
InChIKeyDUMQRVTUOZSMPX-UHFFFAOYSA-N
XLogP3.78
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 2080031
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
CID 2400517
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-fluorophenoxy)propanoate
CID 42902776
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-(4-sulfamoylphenyl)propanoate
CID 46812038
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide (CID 16526072) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide is CC(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is DUMQRVTUOZSMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O4S/c1-9(15(26)25-12-2-4-14(5-3-12)30(24,27)28)29-13-7-10(16(18,19)20)6-11(8-13)17(21,22)23/h2-9H,1H3,(H,25,26)(H2,24,27,28).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 456.36 g/mol, XLogP of 3.78, 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)propanamide is sourced from PubChem (CID 16526072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).