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

C19H18F3NO5S — CID 19855460

IUPAC2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H18F3NO5S/c20-19(21,22)14-3-7-17(8-4-14)29(26,27)23-15-5-1-13-10-16(28-11-18(24)25)6-2-12(13)9-15/h2-4,6-8,10,15,23H,1,5,9,11H2,(H,24,25)
InChIKeyAUVWVKHLXNYOSI-UHFFFAOYSA-N
MW429.42 g/mol
LogP3.00
Rot. Bonds6

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

2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid (PubChem CID 19855460) 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-2-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
PubChem CID19855460
Molecular FormulaC19H18F3NO5S
Molecular Weight429.42 g/mol
Exact Mass429.09
IUPAC Name2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H18F3NO5S/c20-19(21,22)14-3-7-17(8-4-14)29(26,27)23-15-5-1-13-10-16(28-11-18(24)25)6-2-12(13)9-15/h2-4,6-8,10,15,23H,1,5,9,11H2,(H,24,25)
InChIKeyAUVWVKHLXNYOSI-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

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

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Related Compounds

Sulotroban
CID 51550
(2R)-3-methyl-2-[[4-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]sulfonylamino]butanoic acid
CID 57390234
2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078394
2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078396
2-[[2-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078400
2-[[1-[(naphthalen-2-ylsulfonylamino)methyl]-3,4-dihydro-1H-isochromen-6-yl]oxy]acetic acid
CID 44211100
2-[[1-(benzenesulfonamidomethyl)-3,4-dihydro-1H-isochromen-6-yl]oxy]acetic acid
CID 44211101
2-[[1-[[(4-ethylphenyl)sulfonylamino]methyl]-3,4-dihydro-1H-isochromen-6-yl]oxy]acetic acid
CID 44211103
2-[2-[4-(benzylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic Acid
CID 11431224
2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic Acid
CID 11441408
2-[3-[2-[[3-(Trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid
CID 13827021
2-[3-[3-[[4-(Trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid
CID 13827045

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The IUPAC name of 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid (CID 19855460) is 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The canonical SMILES for 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid is O=C(O)COc1ccc2c(c1)CCC(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-2-yl]oxy]acetic acid?
The InChIKey is AUVWVKHLXNYOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO5S/c20-19(21,22)14-3-7-17(8-4-14)29(26,27)23-15-5-1-13-10-16(28-11-18(24)25)6-2-12(13)9-15/h2-4,6-8,10,15,23H,1,5,9,11H2,(H,24,25).
What are the key properties of 2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
2-[[6-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-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-2-yl]oxy]acetic acid is sourced from PubChem (CID 19855460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).