2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid

C23H20F3NO4S — CID 68691483

IUPAC2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid
SMILESO=C(O)c1ccccc1CCCc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H20F3NO4S/c24-23(25,26)19-13-4-6-15-21(19)32(30,31)27-20-14-5-2-9-17(20)11-7-10-16-8-1-3-12-18(16)22(28)29/h1-6,8-9,12-15,27H,7,10-11H2,(H,28,29)
InChIKeyIBZHAAQUADTECA-UHFFFAOYSA-N
MW463.48 g/mol
LogP5.38
Rot. Bonds8

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

2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid (PubChem CID 68691483) has the molecular formula C23H20F3NO4S and a molecular weight of 463.48 g/mol. Its IUPAC name is 2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid.

Molecular Properties

Compound Name2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid
PubChem CID68691483
Molecular FormulaC23H20F3NO4S
Molecular Weight463.48 g/mol
Exact Mass463.11
IUPAC Name2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid
SMILESO=C(O)c1ccccc1CCCc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H20F3NO4S/c24-23(25,26)19-13-4-6-15-21(19)32(30,31)27-20-14-5-2-9-17(20)11-7-10-16-8-1-3-12-18(16)22(28)29/h1-6,8-9,12-15,27H,7,10-11H2,(H,28,29)
InChIKeyIBZHAAQUADTECA-UHFFFAOYSA-N
XLogP5.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.48
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pentyl]benzoic acid
CID 68691951
2-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 12017862
2-[2-[2-(naphthalen-1-ylsulfonylamino)phenyl]ethyl]benzoic acid
CID 68691994
2-[3-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propyl]benzoic acid
CID 68691274
2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
CID 11525761
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68687615
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
2-[5-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]pentyl]benzoic acid
CID 68689980
3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid
CID 68691946
methyl 2-[(2-butylphenyl)sulfamoyl]benzoate
CID 54336773

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid?
The IUPAC name of 2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid (CID 68691483) is 2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid.
What is the SMILES notation for 2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid?
The canonical SMILES for 2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid is O=C(O)c1ccccc1CCCc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid?
The InChIKey is IBZHAAQUADTECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO4S/c24-23(25,26)19-13-4-6-15-21(19)32(30,31)27-20-14-5-2-9-17(20)11-7-10-16-8-1-3-12-18(16)22(28)29/h1-6,8-9,12-15,27H,7,10-11H2,(H,28,29).
What are the key properties of 2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid?
2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid has a molecular weight of 463.48 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid is sourced from PubChem (CID 68691483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).