3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid

C16H14F3NO4S — CID 167955743

IUPAC3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4S/c17-16(18,19)14-7-2-1-4-11(14)8-9-20-25(23,24)13-6-3-5-12(10-13)15(21)22/h1-7,10,20H,8-9H2,(H,21,22)
InChIKeyROZZALHIHVAJFC-UHFFFAOYSA-N
MW373.35 g/mol
LogP2.92
Rot. Bonds6

About 3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid

3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid (PubChem CID 167955743) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is 3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid
PubChem CID167955743
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC Name3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4S/c17-16(18,19)14-7-2-1-4-11(14)8-9-20-25(23,24)13-6-3-5-12(10-13)15(21)22/h1-7,10,20H,8-9H2,(H,21,22)
InChIKeyROZZALHIHVAJFC-UHFFFAOYSA-N
XLogP2.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(trifluoromethyl)phenyl]methyl 3-(methylsulfamoyl)benzoate
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3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
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3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
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3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid?
The IUPAC name of 3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid (CID 167955743) is 3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid?
The canonical SMILES for 3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)NCCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid?
The InChIKey is ROZZALHIHVAJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c17-16(18,19)14-7-2-1-4-11(14)8-9-20-25(23,24)13-6-3-5-12(10-13)15(21)22/h1-7,10,20H,8-9H2,(H,21,22).
What are the key properties of 3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid?
3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid has a molecular weight of 373.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 167955743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).