6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

C11H10F3NO5S — CID 22638889

IUPAC6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc2c(c1)CC(C(=O)O)C(C(F)(F)F)O2
InChIInChI=1S/C11H10F3NO5S/c12-11(13,14)9-7(10(16)17)4-5-3-6(21(15,18)19)1-2-8(5)20-9/h1-3,7,9H,4H2,(H,16,17)(H2,15,18,19)
InChIKeyITFZTEZOKXUKQW-UHFFFAOYSA-N
MW325.26 g/mol
LogP0.90
Rot. Bonds2

About 6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 22638889) has the molecular formula C11H10F3NO5S and a molecular weight of 325.26 g/mol. Its IUPAC name is 6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID22638889
Molecular FormulaC11H10F3NO5S
Molecular Weight325.26 g/mol
Exact Mass325.02
IUPAC Name6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc2c(c1)CC(C(=O)O)C(C(F)(F)F)O2
InChIInChI=1S/C11H10F3NO5S/c12-11(13,14)9-7(10(16)17)4-5-3-6(21(15,18)19)1-2-8(5)20-9/h1-3,7,9H,4H2,(H,16,17)(H2,15,18,19)
InChIKeyITFZTEZOKXUKQW-UHFFFAOYSA-N
XLogP0.90
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 22638889) is 6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is NS(=O)(=O)c1ccc2c(c1)CC(C(=O)O)C(C(F)(F)F)O2.
What is the InChIKey of 6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is ITFZTEZOKXUKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO5S/c12-11(13,14)9-7(10(16)17)4-5-3-6(21(15,18)19)1-2-8(5)20-9/h1-3,7,9H,4H2,(H,16,17)(H2,15,18,19).
What are the key properties of 6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 325.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfamoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 22638889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).