6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C17H11ClF3NO5S — CID 52942521

IUPAC6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-c2cc(Cl)cc3c2OC(C(F)(F)F)C(C(=O)O)=C3)cc1
InChIInChI=1S/C17H11ClF3NO5S/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)27-14(9)12(7-10)8-1-3-11(4-2-8)28(22,25)26/h1-7,15H,(H,23,24)(H2,22,25,26)
InChIKeyJGPRUEXSKNEPHR-UHFFFAOYSA-N
MW433.79 g/mol
LogP3.45
Rot. Bonds3

About 6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 52942521) has the molecular formula C17H11ClF3NO5S and a molecular weight of 433.79 g/mol. Its IUPAC name is 6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID52942521
Molecular FormulaC17H11ClF3NO5S
Molecular Weight433.79 g/mol
Exact Mass433.00
IUPAC Name6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-c2cc(Cl)cc3c2OC(C(F)(F)F)C(C(=O)O)=C3)cc1
InChIInChI=1S/C17H11ClF3NO5S/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)27-14(9)12(7-10)8-1-3-11(4-2-8)28(22,25)26/h1-7,15H,(H,23,24)(H2,22,25,26)
InChIKeyJGPRUEXSKNEPHR-UHFFFAOYSA-N
XLogP3.45
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 52942521) is 6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is NS(=O)(=O)c1ccc(-c2cc(Cl)cc3c2OC(C(F)(F)F)C(C(=O)O)=C3)cc1.
What is the InChIKey of 6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is JGPRUEXSKNEPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO5S/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)27-14(9)12(7-10)8-1-3-11(4-2-8)28(22,25)26/h1-7,15H,(H,23,24)(H2,22,25,26).
What are the key properties of 6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 433.79 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 52942521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).