2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid

C17H17ClFNO5S — CID 14579418

IUPAC2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid
SMILESCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C17H17ClFNO5S/c1-11(9-20-26(23,24)14-5-3-13(18)4-6-14)12-2-7-16(15(19)8-12)25-10-17(21)22/h2-8,11,20H,9-10H2,1H3,(H,21,22)
InChIKeyOOJYWLVDOFOEFF-UHFFFAOYSA-N
MW401.84 g/mol
LogP3.02
Rot. Bonds8

About 2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid

2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid (PubChem CID 14579418) has the molecular formula C17H17ClFNO5S and a molecular weight of 401.84 g/mol. Its IUPAC name is 2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid
PubChem CID14579418
Molecular FormulaC17H17ClFNO5S
Molecular Weight401.84 g/mol
Exact Mass401.05
IUPAC Name2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid
SMILESCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C17H17ClFNO5S/c1-11(9-20-26(23,24)14-5-3-13(18)4-6-14)12-2-7-16(15(19)8-12)25-10-17(21)22/h2-8,11,20H,9-10H2,1H3,(H,21,22)
InChIKeyOOJYWLVDOFOEFF-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid?
The IUPAC name of 2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid (CID 14579418) is 2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid is CC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OCC(=O)O)c(F)c1.
What is the InChIKey of 2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid?
The InChIKey is OOJYWLVDOFOEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO5S/c1-11(9-20-26(23,24)14-5-3-13(18)4-6-14)12-2-7-16(15(19)8-12)25-10-17(21)22/h2-8,11,20H,9-10H2,1H3,(H,21,22).
What are the key properties of 2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid?
2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid has a molecular weight of 401.84 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid is sourced from PubChem (CID 14579418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).