2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

C19H18F3NO5S — CID 19855454

IUPAC2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H18F3NO5S/c20-19(21,22)13-4-7-15(8-5-13)29(26,27)23-14-6-9-16-12(10-14)2-1-3-17(16)28-11-18(24)25/h1-5,7-8,14,23H,6,9-11H2,(H,24,25)
InChIKeyIXLSLKMPAAVNIF-UHFFFAOYSA-N
MW429.42 g/mol
LogP3.00
Rot. Bonds6

About 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 19855454) has the molecular formula C19H18F3NO5S and a molecular weight of 429.42 g/mol. Its IUPAC name is 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID19855454
Molecular FormulaC19H18F3NO5S
Molecular Weight429.42 g/mol
Exact Mass429.09
IUPAC Name2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H18F3NO5S/c20-19(21,22)13-4-7-15(8-5-13)29(26,27)23-14-6-9-16-12(10-14)2-1-3-17(16)28-11-18(24)25/h1-5,7-8,14,23H,6,9-11H2,(H,24,25)
InChIKeyIXLSLKMPAAVNIF-UHFFFAOYSA-N
XLogP3.00
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 19855454) is 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is O=C(O)COc1cccc2c1CCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is IXLSLKMPAAVNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO5S/c20-19(21,22)13-4-7-15(8-5-13)29(26,27)23-14-6-9-16-12(10-14)2-1-3-17(16)28-11-18(24)25/h1-5,7-8,14,23H,6,9-11H2,(H,24,25).
What are the key properties of 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 429.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 19855454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).