2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid

C11H11ClN2O5S — CID 22750885

IUPAC2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O5S/c12-9-3-1-8(2-4-9)5-6-20(18,19)14-11(17)13-7-10(15)16/h1-6H,7H2,(H,15,16)(H2,13,14,17)/b6-5+
InChIKeyUKUVHOYPPKNDJJ-AATRIKPKSA-N
MW318.74 g/mol
LogP1.02
Rot. Bonds5

About 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid

2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid (PubChem CID 22750885) has the molecular formula C11H11ClN2O5S and a molecular weight of 318.74 g/mol. Its IUPAC name is 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid
PubChem CID22750885
Molecular FormulaC11H11ClN2O5S
Molecular Weight318.74 g/mol
Exact Mass318.01
IUPAC Name2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O5S/c12-9-3-1-8(2-4-9)5-6-20(18,19)14-11(17)13-7-10(15)16/h1-6H,7H2,(H,15,16)(H2,13,14,17)/b6-5+
InChIKeyUKUVHOYPPKNDJJ-AATRIKPKSA-N
XLogP1.02
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid?
The IUPAC name of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid (CID 22750885) is 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid is O=C(O)CNC(=O)NS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid?
The InChIKey is UKUVHOYPPKNDJJ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H11ClN2O5S/c12-9-3-1-8(2-4-9)5-6-20(18,19)14-11(17)13-7-10(15)16/h1-6H,7H2,(H,15,16)(H2,13,14,17)/b6-5+.
What are the key properties of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid?
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid has a molecular weight of 318.74 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetic acid is sourced from PubChem (CID 22750885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).