2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid

C22H24F3NO5S — CID 18999492

IUPAC2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CC2(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)cc1
InChIInChI=1S/C22H24F3NO5S/c23-22(24,25)31-18-7-9-19(10-8-18)32(29,30)26-15-21(11-1-2-12-21)14-17-5-3-16(4-6-17)13-20(27)28/h3-10,26H,1-2,11-15H2,(H,27,28)
InChIKeyHWLPUHOOSNCHOZ-UHFFFAOYSA-N
MW471.50 g/mol
LogP4.29
Rot. Bonds9

About 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid

2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid (PubChem CID 18999492) has the molecular formula C22H24F3NO5S and a molecular weight of 471.50 g/mol. Its IUPAC name is 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid
PubChem CID18999492
Molecular FormulaC22H24F3NO5S
Molecular Weight471.50 g/mol
Exact Mass471.13
IUPAC Name2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CC2(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)cc1
InChIInChI=1S/C22H24F3NO5S/c23-22(24,25)31-18-7-9-19(10-8-18)32(29,30)26-15-21(11-1-2-12-21)14-17-5-3-16(4-6-17)13-20(27)28/h3-10,26H,1-2,11-15H2,(H,27,28)
InChIKeyHWLPUHOOSNCHOZ-UHFFFAOYSA-N
XLogP4.29
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid with MolForge

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Related Compounds

acetic acid;4-chloro-N-[[1-[(4-ethylphenyl)methyl]cyclopentyl]methyl]benzenesulfonamide
CID 162054654
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
CID 62740964
2-[4-[[1-[[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid
CID 18999636
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine
CID 66025755
4-methoxy-N-[[1-[[4-(2-methylsulfanylethyl)phenyl]methyl]cyclobutyl]methyl]benzenesulfonamide
CID 11976658
N-[1-(hydroxymethyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115902946
2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 146137544
N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 139029418
N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 100721790

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid (CID 18999492) is 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CC2(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)cc1.
What is the InChIKey of 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid?
The InChIKey is HWLPUHOOSNCHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO5S/c23-22(24,25)31-18-7-9-19(10-8-18)32(29,30)26-15-21(11-1-2-12-21)14-17-5-3-16(4-6-17)13-20(27)28/h3-10,26H,1-2,11-15H2,(H,27,28).
What are the key properties of 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid?
2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid has a molecular weight of 471.50 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid is sourced from PubChem (CID 18999492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).