2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid

C17H14F3NO4S — CID 25024278

IUPAC2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C17H14F3NO4S/c18-17(19,20)14-3-1-2-4-15(14)26(24,25)21-13-8-10-5-6-11(16(22)23)7-12(10)9-13/h1-7,13,21H,8-9H2,(H,22,23)
InChIKeyIUJMDQQWNXARJK-UHFFFAOYSA-N
MW385.36 g/mol
LogP2.85
Rot. Bonds4

About 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid

2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 25024278) has the molecular formula C17H14F3NO4S and a molecular weight of 385.36 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID25024278
Molecular FormulaC17H14F3NO4S
Molecular Weight385.36 g/mol
Exact Mass385.06
IUPAC Name2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C17H14F3NO4S/c18-17(19,20)14-3-1-2-4-15(14)26(24,25)21-13-8-10-5-6-11(16(22)23)7-12(10)9-13/h1-7,13,21H,8-9H2,(H,22,23)
InChIKeyIUJMDQQWNXARJK-UHFFFAOYSA-N
XLogP2.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 25024278) is 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C2.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is IUJMDQQWNXARJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4S/c18-17(19,20)14-3-1-2-4-15(14)26(24,25)21-13-8-10-5-6-11(16(22)23)7-12(10)9-13/h1-7,13,21H,8-9H2,(H,22,23).
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 385.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 25024278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).