2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole

C5H9N5O4S — CID 72712918

IUPAC2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole
SMILESNS(=O)(=O)NCCn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C5H9N5O4S/c6-15(13,14)8-2-4-9-3-1-7-5(9)10(11)12/h1,3,8H,2,4H2,(H2,6,13,14)
InChIKeyQBYDXIGCRLBJTJ-UHFFFAOYSA-N
MW235.22 g/mol
LogP-1.42
Rot. Bonds5

About 2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole

2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole (PubChem CID 72712918) has the molecular formula C5H9N5O4S and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole.

Molecular Properties

Compound Name2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole
PubChem CID72712918
Molecular FormulaC5H9N5O4S
Molecular Weight235.22 g/mol
Exact Mass235.04
IUPAC Name2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole
SMILESNS(=O)(=O)NCCn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C5H9N5O4S/c6-15(13,14)8-2-4-9-3-1-7-5(9)10(11)12/h1,3,8H,2,4H2,(H2,6,13,14)
InChIKeyQBYDXIGCRLBJTJ-UHFFFAOYSA-N
XLogP-1.42
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

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1-(2-Aminoethyl)-2-methyl-5-nitroimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole?
The IUPAC name of 2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole (CID 72712918) is 2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole.
What is the SMILES notation for 2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole?
The canonical SMILES for 2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole is NS(=O)(=O)NCCn1ccnc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole?
The InChIKey is QBYDXIGCRLBJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O4S/c6-15(13,14)8-2-4-9-3-1-7-5(9)10(11)12/h1,3,8H,2,4H2,(H2,6,13,14).
What are the key properties of 2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole?
2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole has a molecular weight of 235.22 g/mol, XLogP of -1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-[2-(sulfamoylamino)ethyl]imidazole is sourced from PubChem (CID 72712918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).