2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid

C11H13NO4S — CID 2526698

IUPAC2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H13NO4S/c1-12(9-11(13)14)17(15,16)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14)/b8-7+
InChIKeyLIDGHXOLAIVENL-BQYQJAHWSA-N
MW255.30 g/mol
LogP1.00
Rot. Bonds5

About 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid

2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid (PubChem CID 2526698) has the molecular formula C11H13NO4S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
PubChem CID2526698
Molecular FormulaC11H13NO4S
Molecular Weight255.30 g/mol
Exact Mass255.06
IUPAC Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H13NO4S/c1-12(9-11(13)14)17(15,16)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14)/b8-7+
InChIKeyLIDGHXOLAIVENL-BQYQJAHWSA-N
XLogP1.00
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid (CID 2526698) is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The InChIKey is LIDGHXOLAIVENL-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-12(9-11(13)14)17(15,16)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14)/b8-7+.
What are the key properties of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid has a molecular weight of 255.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 2526698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).