2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid

C16H17NO4S — CID 73353430

IUPAC2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c18-16(19)12-17-22(20,21)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,18,19)
InChIKeyAMHJUVNJSCPYSD-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.90
Rot. Bonds7

About 2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid

2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid (PubChem CID 73353430) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid
PubChem CID73353430
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c18-16(19)12-17-22(20,21)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,18,19)
InChIKeyAMHJUVNJSCPYSD-UHFFFAOYSA-N
XLogP1.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid?
The IUPAC name of 2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid (CID 73353430) is 2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid?
The canonical SMILES for 2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid?
The InChIKey is AMHJUVNJSCPYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c18-16(19)12-17-22(20,21)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,18,19).
What are the key properties of 2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid?
2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid has a molecular weight of 319.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylphenyl)ethylsulfonylamino]acetic acid is sourced from PubChem (CID 73353430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).