2-(2-phenylethenylsulfonylamino)acetate

C10H10NO4S- — CID 4137274

IUPAC2-(2-phenylethenylsulfonylamino)acetate
SMILESO=C([O-])CNS(=O)(=O)C=Cc1ccccc1
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)/p-1
InChIKeyBENSSPRDYYRKBA-UHFFFAOYSA-M
MW240.26 g/mol
LogP-0.67
Rot. Bonds5

About 2-(2-phenylethenylsulfonylamino)acetate

2-(2-phenylethenylsulfonylamino)acetate (PubChem CID 4137274) has the molecular formula C10H10NO4S- and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2-phenylethenylsulfonylamino)acetate.

Molecular Properties

Compound Name2-(2-phenylethenylsulfonylamino)acetate
PubChem CID4137274
Molecular FormulaC10H10NO4S-
Molecular Weight240.26 g/mol
Exact Mass240.03
IUPAC Name2-(2-phenylethenylsulfonylamino)acetate
SMILESO=C([O-])CNS(=O)(=O)C=Cc1ccccc1
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)/p-1
InChIKeyBENSSPRDYYRKBA-UHFFFAOYSA-M
XLogP-0.67
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid
CID 6235486
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide
CID 60893294
N-(2-fluorophenyl)-2-[[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42766043
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122
propanedioate;(E)-stilbene
CID 19773481
[(E)-2-phenylethenyl]sulfonylurea
CID 22750927
[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55418491
(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
CID 55100588

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenylsulfonylamino)acetate?
The IUPAC name of 2-(2-phenylethenylsulfonylamino)acetate (CID 4137274) is 2-(2-phenylethenylsulfonylamino)acetate.
What is the SMILES notation for 2-(2-phenylethenylsulfonylamino)acetate?
The canonical SMILES for 2-(2-phenylethenylsulfonylamino)acetate is O=C([O-])CNS(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of 2-(2-phenylethenylsulfonylamino)acetate?
The InChIKey is BENSSPRDYYRKBA-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-(2-phenylethenylsulfonylamino)acetate?
2-(2-phenylethenylsulfonylamino)acetate has a molecular weight of 240.26 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenylsulfonylamino)acetate is sourced from PubChem (CID 4137274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).