4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C18H19F3N2O4S — CID 55913885

IUPAC4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1cccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-2-27-15-5-3-4-13(10-15)11-23-28(25,26)16-8-6-14(7-9-16)17(24)22-12-18(19,20)21/h3-10,23H,2,11-12H2,1H3,(H,22,24)
InChIKeyKFWZUQLGDPAONB-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.86
Rot. Bonds8

About 4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55913885) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55913885
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1cccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-2-27-15-5-3-4-13(10-15)11-23-28(25,26)16-8-6-14(7-9-16)17(24)22-12-18(19,20)21/h3-10,23H,2,11-12H2,1H3,(H,22,24)
InChIKeyKFWZUQLGDPAONB-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55714526
3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712150
4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 38257742
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
N-[(3-ethoxyphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548712
4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
CID 109057844
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47083607
4-[(4-ethyl-1,2,4-triazol-3-yl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60539338
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 49390939

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 55913885) is 4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is CCOc1cccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1.
What is the InChIKey of 4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is KFWZUQLGDPAONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-2-27-15-5-3-4-13(10-15)11-23-28(25,26)16-8-6-14(7-9-16)17(24)22-12-18(19,20)21/h3-10,23H,2,11-12H2,1H3,(H,22,24).
What are the key properties of 4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 416.42 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55913885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).