2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid

C18H16F3NO5S — CID 25024473

IUPAC2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C18H16F3NO5S/c19-18(20,21)15-3-1-2-4-16(15)28(25,26)22-13-7-11-5-6-14(9-12(11)8-13)27-10-17(23)24/h1-6,9,13,22H,7-8,10H2,(H,23,24)
InChIKeyCPURFKZNOJBPOQ-UHFFFAOYSA-N
MW415.39 g/mol
LogP2.61
Rot. Bonds6

About 2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid

2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (PubChem CID 25024473) has the molecular formula C18H16F3NO5S and a molecular weight of 415.39 g/mol. Its IUPAC name is 2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
PubChem CID25024473
Molecular FormulaC18H16F3NO5S
Molecular Weight415.39 g/mol
Exact Mass415.07
IUPAC Name2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C18H16F3NO5S/c19-18(20,21)15-3-1-2-4-16(15)28(25,26)22-13-7-11-5-6-14(9-12(11)8-13)27-10-17(23)24/h1-6,9,13,22H,7-8,10H2,(H,23,24)
InChIKeyCPURFKZNOJBPOQ-UHFFFAOYSA-N
XLogP2.61
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (CID 25024473) is 2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is O=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C2.
What is the InChIKey of 2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The InChIKey is CPURFKZNOJBPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO5S/c19-18(20,21)15-3-1-2-4-16(15)28(25,26)22-13-7-11-5-6-14(9-12(11)8-13)27-10-17(23)24/h1-6,9,13,22H,7-8,10H2,(H,23,24).
What are the key properties of 2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid has a molecular weight of 415.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is sourced from PubChem (CID 25024473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).