2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid

C10H11Cl2NO4S — CID 1256112

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2NO4S/c1-2-13(6-10(14)15)18(16,17)9-5-7(11)3-4-8(9)12/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyKOGVLZUUCJEMEB-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.09
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid

2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid (PubChem CID 1256112) has the molecular formula C10H11Cl2NO4S and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid
PubChem CID1256112
Molecular FormulaC10H11Cl2NO4S
Molecular Weight312.17 g/mol
Exact Mass310.98
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2NO4S/c1-2-13(6-10(14)15)18(16,17)9-5-7(11)3-4-8(9)12/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyKOGVLZUUCJEMEB-UHFFFAOYSA-N
XLogP2.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid (CID 1256112) is 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid is CCN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid?
The InChIKey is KOGVLZUUCJEMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S/c1-2-13(6-10(14)15)18(16,17)9-5-7(11)3-4-8(9)12/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid?
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid has a molecular weight of 312.17 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetic acid is sourced from PubChem (CID 1256112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).