2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid

C18H17F4NO5S — CID 14579461

IUPAC2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid
SMILESCC(Cc1ccc(OCC(=O)O)c(F)c1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F4NO5S/c1-11(8-12-2-7-16(15(19)9-12)28-10-17(24)25)23-29(26,27)14-5-3-13(4-6-14)18(20,21)22/h2-7,9,11,23H,8,10H2,1H3,(H,24,25)
InChIKeyIZVBUFKGVXMASW-UHFFFAOYSA-N
MW435.40 g/mol
LogP3.22
Rot. Bonds8

About 2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid

2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid (PubChem CID 14579461) has the molecular formula C18H17F4NO5S and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid
PubChem CID14579461
Molecular FormulaC18H17F4NO5S
Molecular Weight435.40 g/mol
Exact Mass435.08
IUPAC Name2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid
SMILESCC(Cc1ccc(OCC(=O)O)c(F)c1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F4NO5S/c1-11(8-12-2-7-16(15(19)9-12)28-10-17(24)25)23-29(26,27)14-5-3-13(4-6-14)18(20,21)22/h2-7,9,11,23H,8,10H2,1H3,(H,24,25)
InChIKeyIZVBUFKGVXMASW-UHFFFAOYSA-N
XLogP3.22
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sulotroban
CID 51550
2-(4''-(N,N-diethylsulfamoyl)-5-(trifluoromethyl)biphenyl-2-yloxy)acetic acid
CID 11258980
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 71460171
methyl 2-[4-[(2S)-2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetate
CID 10453943
2-(2-Fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2528367
2-[4-[(2S)-2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetic acid
CID 10430540
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 10906013
p-[2-(p-Amidinobenzenesulphonamido)ethyl]phenoxyacetic acid
CID 9976875
2-[2,6-Difluoro-4-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10387245
2-[4-[2-[(4-Chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid
CID 14620892
2-[4-(2-Phenylethylsulfamoyl)phenoxy]acetic acid
CID 3704629
2-[4-[(2R)-2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetic acid
CID 11741181

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid (CID 14579461) is 2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid is CC(Cc1ccc(OCC(=O)O)c(F)c1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid?
The InChIKey is IZVBUFKGVXMASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO5S/c1-11(8-12-2-7-16(15(19)9-12)28-10-17(24)25)23-29(26,27)14-5-3-13(4-6-14)18(20,21)22/h2-7,9,11,23H,8,10H2,1H3,(H,24,25).
What are the key properties of 2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid?
2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid has a molecular weight of 435.40 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetic acid is sourced from PubChem (CID 14579461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).