2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid

C17H17ClFNO5S — CID 14579459

IUPAC2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid
SMILESCC(Cc1ccc(OCC(=O)O)c(F)c1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFNO5S/c1-11(20-26(23,24)14-5-3-13(18)4-6-14)8-12-2-7-16(15(19)9-12)25-10-17(21)22/h2-7,9,11,20H,8,10H2,1H3,(H,21,22)
InChIKeyUTUIXQNLKSDMRW-UHFFFAOYSA-N
MW401.84 g/mol
LogP2.85
Rot. Bonds8

About 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid

2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid (PubChem CID 14579459) has the molecular formula C17H17ClFNO5S and a molecular weight of 401.84 g/mol. Its IUPAC name is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid
PubChem CID14579459
Molecular FormulaC17H17ClFNO5S
Molecular Weight401.84 g/mol
Exact Mass401.05
IUPAC Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid
SMILESCC(Cc1ccc(OCC(=O)O)c(F)c1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFNO5S/c1-11(20-26(23,24)14-5-3-13(18)4-6-14)8-12-2-7-16(15(19)9-12)25-10-17(21)22/h2-7,9,11,20H,8,10H2,1H3,(H,21,22)
InChIKeyUTUIXQNLKSDMRW-UHFFFAOYSA-N
XLogP2.85
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.84
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid (CID 14579459) is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid is CC(Cc1ccc(OCC(=O)O)c(F)c1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid?
The InChIKey is UTUIXQNLKSDMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO5S/c1-11(20-26(23,24)14-5-3-13(18)4-6-14)8-12-2-7-16(15(19)9-12)25-10-17(21)22/h2-7,9,11,20H,8,10H2,1H3,(H,21,22).
What are the key properties of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid?
2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid has a molecular weight of 401.84 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid is sourced from PubChem (CID 14579459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).