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

C14H10F3NO4S — CID 5088843

IUPAC3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO4S/c15-14(16,17)11-6-1-2-7-12(11)23(21,22)18-10-5-3-4-9(8-10)13(19)20/h1-8,18H,(H,19,20)
InChIKeyHUGRKSBRZIAOLY-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.20
Rot. Bonds4

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

3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 5088843) has the molecular formula C14H10F3NO4S and a molecular weight of 345.30 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
PubChem CID5088843
Molecular FormulaC14H10F3NO4S
Molecular Weight345.30 g/mol
Exact Mass345.03
IUPAC Name3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO4S/c15-14(16,17)11-6-1-2-7-12(11)23(21,22)18-10-5-3-4-9(8-10)13(19)20/h1-8,18H,(H,19,20)
InChIKeyHUGRKSBRZIAOLY-UHFFFAOYSA-N
XLogP3.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5088845
3-[(2-phenylphenyl)sulfonylamino]benzoic acid
CID 52565138
3-[[2,4-difluoro-5-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 142738865
4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260375
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26966737
3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 39824436
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 16803208
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24650347
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid (CID 5088843) is 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is HUGRKSBRZIAOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4S/c15-14(16,17)11-6-1-2-7-12(11)23(21,22)18-10-5-3-4-9(8-10)13(19)20/h1-8,18H,(H,19,20).
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 345.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 5088843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).