2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid

C15H11ClF3NO5S — CID 11315819

IUPAC2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
SMILESNS(=O)(=O)c1ccc(Cl)c(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1
InChIInChI=1S/C15H11ClF3NO5S/c16-12-3-2-9(26(20,23)24)6-10(12)11-5-8(15(17,18)19)1-4-13(11)25-7-14(21)22/h1-6H,7H2,(H,21,22)(H2,20,23,24)
InChIKeyAKJMJSFQGHRPDO-UHFFFAOYSA-N
MW409.77 g/mol
LogP3.14
Rot. Bonds5

About 2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid

2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 11315819) has the molecular formula C15H11ClF3NO5S and a molecular weight of 409.77 g/mol. Its IUPAC name is 2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID11315819
Molecular FormulaC15H11ClF3NO5S
Molecular Weight409.77 g/mol
Exact Mass409.00
IUPAC Name2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
SMILESNS(=O)(=O)c1ccc(Cl)c(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1
InChIInChI=1S/C15H11ClF3NO5S/c16-12-3-2-9(26(20,23)24)6-10(12)11-5-8(15(17,18)19)1-4-13(11)25-7-14(21)22/h1-6H,7H2,(H,21,22)(H2,20,23,24)
InChIKeyAKJMJSFQGHRPDO-UHFFFAOYSA-N
XLogP3.14
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.77
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-aminosulfanyl-2-chlorophenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 142950719
2-[2-(4-ethylsulfonyl-2-fluorophenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 58333663
2-[2-(4-ethylsulfonyl-2-methylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 53359023
2-[2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 11515553
2-(2-bromo-4-sulfamoylphenoxy)acetic acid
CID 43164345
2-[2-[(2-chloro-4-methylsulfonylphenyl)methyl]-4-(trifluoromethyl)phenoxy]acetic acid
CID 58516131
2-[2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 58333669
2-[2-[2-methyl-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethyl)phenoxy]acetic acid
CID 54580767
2-[2-(5-cyano-2-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 11210307
2-[2-[4-(benzylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid;2-[2-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid
CID 160541132
2-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-4-(trifluoromethyl)phenoxy]acetic acid
CID 58333700
2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 23355677

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid (CID 11315819) is 2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid is NS(=O)(=O)c1ccc(Cl)c(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1.
What is the InChIKey of 2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is AKJMJSFQGHRPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO5S/c16-12-3-2-9(26(20,23)24)6-10(12)11-5-8(15(17,18)19)1-4-13(11)25-7-14(21)22/h1-6H,7H2,(H,21,22)(H2,20,23,24).
What are the key properties of 2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 409.77 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 11315819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).