2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

C11H14N4O5S — CID 715060

IUPAC2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C1NCCN1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O5S/c16-11-12-5-7-14(11)8-6-13-21(19,20)10-4-2-1-3-9(10)15(17)18/h1-4,13H,5-8H2,(H,12,16)
InChIKeyDQBDDUAIBWTFOX-UHFFFAOYSA-N
MW314.32 g/mol
LogP-0.10
Rot. Bonds6

About 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 715060) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID715060
Molecular FormulaC11H14N4O5S
Molecular Weight314.32 g/mol
Exact Mass314.07
IUPAC Name2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C1NCCN1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O5S/c16-11-12-5-7-14(11)8-6-13-21(19,20)10-4-2-1-3-9(10)15(17)18/h1-4,13H,5-8H2,(H,12,16)
InChIKeyDQBDDUAIBWTFOX-UHFFFAOYSA-N
XLogP-0.10
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 5-0.10
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'}

Analyze 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-nitrobenzenesulfonamide
CID 161313556
2-nitro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 141085915
4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 2810723
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-nitrobenzenesulfonamide
CID 34108850
1-[(2-nitrophenyl)methyl]imidazolidin-2-one
CID 71758327
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-nitrobenzenesulfonamide
CID 42389429
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-nitrobenzenesulfonamide
CID 42267812
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415
1-(2-anilinoethyl)imidazolidin-2-one
CID 28565231
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-nitrobenzenesulfonamide
CID 90615344

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (CID 715060) is 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is O=C1NCCN1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is DQBDDUAIBWTFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5S/c16-11-12-5-7-14(11)8-6-13-21(19,20)10-4-2-1-3-9(10)15(17)18/h1-4,13H,5-8H2,(H,12,16).
What are the key properties of 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 314.32 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 715060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).