N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide

C16H15F3N2O4S — CID 31816943

IUPACN-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15F3N2O4S/c17-16(18,19)25-13-8-4-5-9-14(13)26(23,24)21-11-10-20-15(22)12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H,20,22)
InChIKeyMUEHKZBJGSDMPM-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.29
Rot. Bonds7

About N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide

N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide (PubChem CID 31816943) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
PubChem CID31816943
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC NameN-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15F3N2O4S/c17-16(18,19)25-13-8-4-5-9-14(13)26(23,24)21-11-10-20-15(22)12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H,20,22)
InChIKeyMUEHKZBJGSDMPM-UHFFFAOYSA-N
XLogP2.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide
CID 51125449
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide
CID 60539441
N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 47062308
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 43242373
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
(2R)-3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 80755925

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide?
The IUPAC name of N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide (CID 31816943) is N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide is O=C(NCCNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide?
The InChIKey is MUEHKZBJGSDMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c17-16(18,19)25-13-8-4-5-9-14(13)26(23,24)21-11-10-20-15(22)12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H,20,22).
What are the key properties of N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide?
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide has a molecular weight of 388.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 31816943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).