2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid

C20H14F3NO6S — CID 175169240

IUPAC2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(-c3ccccc3)c2O)cc1O
InChIInChI=1S/C20H14F3NO6S/c21-20(22,23)12-8-15(11-4-2-1-3-5-11)18(26)17(9-12)31(29,30)24-13-6-7-14(19(27)28)16(25)10-13/h1-10,24-26H,(H,27,28)
InChIKeyZVCKFQOAYVPCDZ-UHFFFAOYSA-N
MW453.39 g/mol
LogP4.28
Rot. Bonds5

About 2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid

2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 175169240) has the molecular formula C20H14F3NO6S and a molecular weight of 453.39 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
PubChem CID175169240
Molecular FormulaC20H14F3NO6S
Molecular Weight453.39 g/mol
Exact Mass453.05
IUPAC Name2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(-c3ccccc3)c2O)cc1O
InChIInChI=1S/C20H14F3NO6S/c21-20(22,23)12-8-15(11-4-2-1-3-5-11)18(26)17(9-12)31(29,30)24-13-6-7-14(19(27)28)16(25)10-13/h1-10,24-26H,(H,27,28)
InChIKeyZVCKFQOAYVPCDZ-UHFFFAOYSA-N
XLogP4.28
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.39
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167825514
2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 56595847
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 146545724
2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid
CID 164623522
2-[[4-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]sulfamoyl]benzoic acid
CID 58874718
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 175181066
3-[(2-phenylphenyl)sulfonylamino]benzoic acid
CID 52565138
2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid
CID 175158556
4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596353
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid (CID 175169240) is 2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(-c3ccccc3)c2O)cc1O.
What is the InChIKey of 2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is ZVCKFQOAYVPCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO6S/c21-20(22,23)12-8-15(11-4-2-1-3-5-11)18(26)17(9-12)31(29,30)24-13-6-7-14(19(27)28)16(25)10-13/h1-10,24-26H,(H,27,28).
What are the key properties of 2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 453.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 175169240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).