4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C17H16F4N2O3S — CID 38257742

IUPAC4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C17H16F4N2O3S/c18-14-3-1-2-12(10-14)8-9-23-27(25,26)15-6-4-13(5-7-15)16(24)22-11-17(19,20)21/h1-7,10,23H,8-9,11H2,(H,22,24)
InChIKeyCKRGOULSTDJOFQ-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.64
Rot. Bonds7

About 4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 38257742) has the molecular formula C17H16F4N2O3S and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID38257742
Molecular FormulaC17H16F4N2O3S
Molecular Weight404.39 g/mol
Exact Mass404.08
IUPAC Name4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C17H16F4N2O3S/c18-14-3-1-2-12(10-14)8-9-23-27(25,26)15-6-4-13(5-7-15)16(24)22-11-17(19,20)21/h1-7,10,23H,8-9,11H2,(H,22,24)
InChIKeyCKRGOULSTDJOFQ-UHFFFAOYSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33319345
4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 29292702
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343
4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119965025
4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55913885
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 38257742) is 4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of 4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is CKRGOULSTDJOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3S/c18-14-3-1-2-12(10-14)8-9-23-27(25,26)15-6-4-13(5-7-15)16(24)22-11-17(19,20)21/h1-7,10,23H,8-9,11H2,(H,22,24).
What are the key properties of 4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 404.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 38257742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).