2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid

C15H15NO5S — CID 6463212

IUPAC2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO5S/c1-16(11-15(17)18)22(19,20)14-9-7-13(8-10-14)21-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)
InChIKeyRLKGYJGPSAVZSR-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.18
Rot. Bonds6

About 2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid

2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid (PubChem CID 6463212) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid
PubChem CID6463212
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO5S/c1-16(11-15(17)18)22(19,20)14-9-7-13(8-10-14)21-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)
InChIKeyRLKGYJGPSAVZSR-UHFFFAOYSA-N
XLogP2.18
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid (CID 6463212) is 2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid?
The InChIKey is RLKGYJGPSAVZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-16(11-15(17)18)22(19,20)14-9-7-13(8-10-14)21-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of 2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid?
2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid has a molecular weight of 321.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-phenoxyphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 6463212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).