4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide

C16H15F3N2O4S — CID 87032752

IUPAC4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3N2O4S/c17-16(18,19)25-13-5-1-11(2-6-13)9-10-21-26(23,24)14-7-3-12(4-8-14)15(20)22/h1-8,21H,9-10H2,(H2,20,22)
InChIKeyQPGJETUZKMUBBG-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.21
Rot. Bonds7

About 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide

4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide (PubChem CID 87032752) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide
PubChem CID87032752
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Name4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3N2O4S/c17-16(18,19)25-13-5-1-11(2-6-13)9-10-21-26(23,24)14-7-3-12(4-8-14)15(20)22/h1-8,21H,9-10H2,(H2,20,22)
InChIKeyQPGJETUZKMUBBG-UHFFFAOYSA-N
XLogP2.21
TPSA98.49 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 47043794
4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide
CID 175987906
4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
CID 46657919
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78768135
N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11509340
5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid
CID 171726310

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide?
The IUPAC name of 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide (CID 87032752) is 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide.
What is the SMILES notation for 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide?
The canonical SMILES for 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide?
The InChIKey is QPGJETUZKMUBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c17-16(18,19)25-13-5-1-11(2-6-13)9-10-21-26(23,24)14-7-3-12(4-8-14)15(20)22/h1-8,21H,9-10H2,(H2,20,22).
What are the key properties of 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide?
4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide has a molecular weight of 388.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide is sourced from PubChem (CID 87032752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).