2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid

C11H12N4O5S2 — CID 11727638

IUPAC2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1nc2ccc(NC(=O)CNCC(=O)O)cc2s1
InChIInChI=1S/C11H12N4O5S2/c12-22(19,20)11-15-7-2-1-6(3-8(7)21-11)14-9(16)4-13-5-10(17)18/h1-3,13H,4-5H2,(H,14,16)(H,17,18)(H2,12,19,20)
InChIKeyURXCUZTXDKQVAL-UHFFFAOYSA-N
MW344.37 g/mol
LogP-0.44
Rot. Bonds6

About 2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid

2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid (PubChem CID 11727638) has the molecular formula C11H12N4O5S2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid
PubChem CID11727638
Molecular FormulaC11H12N4O5S2
Molecular Weight344.37 g/mol
Exact Mass344.02
IUPAC Name2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1nc2ccc(NC(=O)CNCC(=O)O)cc2s1
InChIInChI=1S/C11H12N4O5S2/c12-22(19,20)11-15-7-2-1-6(3-8(7)21-11)14-9(16)4-13-5-10(17)18/h1-3,13H,4-5H2,(H,14,16)(H,17,18)(H2,12,19,20)
InChIKeyURXCUZTXDKQVAL-UHFFFAOYSA-N
XLogP-0.44
TPSA151.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid (CID 11727638) is 2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid is NS(=O)(=O)c1nc2ccc(NC(=O)CNCC(=O)O)cc2s1.
What is the InChIKey of 2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid?
The InChIKey is URXCUZTXDKQVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S2/c12-22(19,20)11-15-7-2-1-6(3-8(7)21-11)14-9(16)4-13-5-10(17)18/h1-3,13H,4-5H2,(H,14,16)(H,17,18)(H2,12,19,20).
What are the key properties of 2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid?
2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid has a molecular weight of 344.37 g/mol, XLogP of -0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 11727638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).