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

C19H18F3NO5S — CID 19855465

IUPAC2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CCCC2NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO5S/c20-19(21,22)13-4-7-15(8-5-13)29(26,27)23-17-3-1-2-12-10-14(6-9-16(12)17)28-11-18(24)25/h4-10,17,23H,1-3,11H2,(H,24,25)
InChIKeyCHMWQSQPMNWJRM-UHFFFAOYSA-N
MW429.42 g/mol
LogP3.52
Rot. Bonds6

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

2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid (PubChem CID 19855465) has the molecular formula C19H18F3NO5S and a molecular weight of 429.42 g/mol. Its IUPAC name is 2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
PubChem CID19855465
Molecular FormulaC19H18F3NO5S
Molecular Weight429.42 g/mol
Exact Mass429.09
IUPAC Name2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CCCC2NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO5S/c20-19(21,22)13-4-7-15(8-5-13)29(26,27)23-17-3-1-2-12-10-14(6-9-16(12)17)28-11-18(24)25/h4-10,17,23H,1-3,11H2,(H,24,25)
InChIKeyCHMWQSQPMNWJRM-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873433
4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
CID 86870489
2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19837465
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120721935
2-[[5-[[3-(diethylamino)-5-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 68649655
2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553121
2-[[5-[[3-bromo-5-(trifluoromethyl)phenyl]sulfonylamino]-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 46174562
2-[[(5R)-5-[(3,5-ditert-butylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 46174491
2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid
CID 57296954
2-[[5-[[4-(5-fluoro-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 44815336
2-[[5-[[4-(4-methylphenyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 66633385

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The IUPAC name of 2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid (CID 19855465) is 2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid is O=C(O)COc1ccc2c(c1)CCCC2NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The InChIKey is CHMWQSQPMNWJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO5S/c20-19(21,22)13-4-7-15(8-5-13)29(26,27)23-17-3-1-2-12-10-14(6-9-16(12)17)28-11-18(24)25/h4-10,17,23H,1-3,11H2,(H,24,25).
What are the key properties of 2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
2-[[5-[[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 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid is sourced from PubChem (CID 19855465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).