2-[(2-nitrophenyl)sulfonylamino]acetic acid

C8H8N2O6S — CID 1210950

IUPAC2-[(2-nitrophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O6S/c11-8(12)5-9-17(15,16)7-4-2-1-3-6(7)10(13)14/h1-4,9H,5H2,(H,11,12)
InChIKeyDJTWAEHEZATPEM-UHFFFAOYSA-N
MW260.23 g/mol
LogP-0.04
Rot. Bonds5

About 2-[(2-nitrophenyl)sulfonylamino]acetic acid

2-[(2-nitrophenyl)sulfonylamino]acetic acid (PubChem CID 1210950) has the molecular formula C8H8N2O6S and a molecular weight of 260.23 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-nitrophenyl)sulfonylamino]acetic acid
PubChem CID1210950
Molecular FormulaC8H8N2O6S
Molecular Weight260.23 g/mol
Exact Mass260.01
IUPAC Name2-[(2-nitrophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O6S/c11-8(12)5-9-17(15,16)7-4-2-1-3-6(7)10(13)14/h1-4,9H,5H2,(H,11,12)
InChIKeyDJTWAEHEZATPEM-UHFFFAOYSA-N
XLogP-0.04
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2-nitrophenyl)sulfonylamino]acetic acid (CID 1210950) is 2-[(2-nitrophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2-nitrophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2-nitrophenyl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-nitrophenyl)sulfonylamino]acetic acid?
The InChIKey is DJTWAEHEZATPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O6S/c11-8(12)5-9-17(15,16)7-4-2-1-3-6(7)10(13)14/h1-4,9H,5H2,(H,11,12).
What are the key properties of 2-[(2-nitrophenyl)sulfonylamino]acetic acid?
2-[(2-nitrophenyl)sulfonylamino]acetic acid has a molecular weight of 260.23 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 1210950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).