2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid

C8H9BrN2O5S2 — CID 61061683

IUPAC2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C8H9BrN2O5S2/c9-5-1-2-17-8(5)18(15,16)11-3-6(12)10-4-7(13)14/h1-2,11H,3-4H2,(H,10,12)(H,13,14)
InChIKeyMZRVKZOSHJPWFN-UHFFFAOYSA-N
MW357.21 g/mol
LogP-0.01
Rot. Bonds6

About 2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid

2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid (PubChem CID 61061683) has the molecular formula C8H9BrN2O5S2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid
PubChem CID61061683
Molecular FormulaC8H9BrN2O5S2
Molecular Weight357.21 g/mol
Exact Mass355.91
IUPAC Name2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C8H9BrN2O5S2/c9-5-1-2-17-8(5)18(15,16)11-3-6(12)10-4-7(13)14/h1-2,11H,3-4H2,(H,10,12)(H,13,14)
InChIKeyMZRVKZOSHJPWFN-UHFFFAOYSA-N
XLogP-0.01
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid (CID 61061683) is 2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNS(=O)(=O)c1sccc1Br.
What is the InChIKey of 2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is MZRVKZOSHJPWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O5S2/c9-5-1-2-17-8(5)18(15,16)11-3-6(12)10-4-7(13)14/h1-2,11H,3-4H2,(H,10,12)(H,13,14).
What are the key properties of 2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 357.21 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-bromothiophen-2-yl)sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 61061683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).