2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid

C20H13ClF3NO5S — CID 19430534

IUPAC2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClF3NO5S/c21-13-6-8-14(9-7-13)31(28,29)25-16-11-12(20(22,23)24)5-10-18(16)30-17-4-2-1-3-15(17)19(26)27/h1-11,25H,(H,26,27)
InChIKeyIWSNTIDXIKYXSU-UHFFFAOYSA-N
MW471.84 g/mol
LogP5.65
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid

2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 19430534) has the molecular formula C20H13ClF3NO5S and a molecular weight of 471.84 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID19430534
Molecular FormulaC20H13ClF3NO5S
Molecular Weight471.84 g/mol
Exact Mass471.02
IUPAC Name2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClF3NO5S/c21-13-6-8-14(9-7-13)31(28,29)25-16-11-12(20(22,23)24)5-10-18(16)30-17-4-2-1-3-15(17)19(26)27/h1-11,25H,(H,26,27)
InChIKeyIWSNTIDXIKYXSU-UHFFFAOYSA-N
XLogP5.65
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.84
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-Chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 4848510
2-[2-[(4-Chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798264
2-[2-[(4-Chlorophenyl)sulfonylamino]-6-fluoro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 49798265
2-[2-[(4-Chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]-6-fluorobenzoic acid
CID 49798289
2-[2-[(4-Chlorophenyl)sulfonylamino]-4-cyanophenoxy]benzoic acid
CID 49798291
2-[2-[(4-Chlorophenyl)sulfonylamino]-4-fluorophenoxy]benzoic acid
CID 49798292
2-[4-Chloro-2-[(4-chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798323
2-[2-Chloro-6-[(4-chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798325
2-[2-[(4-Chlorophenyl)sulfonylamino]-5-methylphenoxy]benzoic acid
CID 49798326
2-[2-(Benzenesulfonamido)-4-chlorophenoxy]benzoic acid
CID 49798347
2-[4-Chloro-2-[(3-chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798348
2-[4-Chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid (CID 19430534) is 2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid is O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is IWSNTIDXIKYXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3NO5S/c21-13-6-8-14(9-7-13)31(28,29)25-16-11-12(20(22,23)24)5-10-18(16)30-17-4-2-1-3-15(17)19(26)27/h1-11,25H,(H,26,27).
What are the key properties of 2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid?
2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid has a molecular weight of 471.84 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid is sourced from PubChem (CID 19430534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).