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

C10H11NO4S — CID 723005

IUPAC2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H11NO4S/c12-10(13)8-11-16(14,15)7-6-9-4-2-1-3-5-9/h1-7,11H,8H2,(H,12,13)/b7-6+
InChIKeyBENSSPRDYYRKBA-VOTSOKGWSA-N
MW241.27 g/mol
LogP0.66
Rot. Bonds5

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

2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid (PubChem CID 723005) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid
PubChem CID723005
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H11NO4S/c12-10(13)8-11-16(14,15)7-6-9-4-2-1-3-5-9/h1-7,11H,8H2,(H,12,13)/b7-6+
InChIKeyBENSSPRDYYRKBA-VOTSOKGWSA-N
XLogP0.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid (CID 723005) is 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The InChIKey is BENSSPRDYYRKBA-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11NO4S/c12-10(13)8-11-16(14,15)7-6-9-4-2-1-3-5-9/h1-7,11H,8H2,(H,12,13)/b7-6+.
What are the key properties of 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid has a molecular weight of 241.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 723005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).