2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid

C16H14ClF2NO5S — CID 14620892

IUPAC2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid
SMILESO=C(O)COc1c(F)cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H14ClF2NO5S/c17-11-1-3-12(4-2-11)26(23,24)20-6-5-10-7-13(18)16(14(19)8-10)25-9-15(21)22/h1-4,7-8,20H,5-6,9H2,(H,21,22)
InChIKeyGXMALYNEQZMYOI-UHFFFAOYSA-N
MW405.81 g/mol
LogP2.60
Rot. Bonds8

About 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid

2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid (PubChem CID 14620892) has the molecular formula C16H14ClF2NO5S and a molecular weight of 405.81 g/mol. Its IUPAC name is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid
PubChem CID14620892
Molecular FormulaC16H14ClF2NO5S
Molecular Weight405.81 g/mol
Exact Mass405.02
IUPAC Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid
SMILESO=C(O)COc1c(F)cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H14ClF2NO5S/c17-11-1-3-12(4-2-11)26(23,24)20-6-5-10-7-13(18)16(14(19)8-10)25-9-15(21)22/h1-4,7-8,20H,5-6,9H2,(H,21,22)
InChIKeyGXMALYNEQZMYOI-UHFFFAOYSA-N
XLogP2.60
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 52.60
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]ethyl]-2,6-difluorophenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid (CID 14620892) is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid is O=C(O)COc1c(F)cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid?
The InChIKey is GXMALYNEQZMYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO5S/c17-11-1-3-12(4-2-11)26(23,24)20-6-5-10-7-13(18)16(14(19)8-10)25-9-15(21)22/h1-4,7-8,20H,5-6,9H2,(H,21,22).
What are the key properties of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid?
2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid has a molecular weight of 405.81 g/mol, XLogP of 2.60, 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]ethyl]-2,6-difluorophenoxy]acetic acid is sourced from PubChem (CID 14620892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).