N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide

C11H14N4O5S — CID 57300931

IUPACN-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide
SMILESO=C1NCCN1CCS(=O)(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N4O5S/c16-11-12-4-5-14(11)6-7-21(19,20)13-9-2-1-3-10(8-9)15(17)18/h1-3,8,13H,4-7H2,(H,12,16)
InChIKeyRSRWSXFTWSJTMG-UHFFFAOYSA-N
MW314.32 g/mol
LogP0.36
Rot. Bonds6

About N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide

N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide (PubChem CID 57300931) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide
PubChem CID57300931
Molecular FormulaC11H14N4O5S
Molecular Weight314.32 g/mol
Exact Mass314.07
IUPAC NameN-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide
SMILESO=C1NCCN1CCS(=O)(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N4O5S/c16-11-12-4-5-14(11)6-7-21(19,20)13-9-2-1-3-10(8-9)15(17)18/h1-3,8,13H,4-7H2,(H,12,16)
InChIKeyRSRWSXFTWSJTMG-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
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 N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide 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-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 715060
CID 89107790
CID 89107790
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea
CID 72931818
2-(4-ethylphenoxy)-N-(3-nitrophenyl)ethanesulfonamide
CID 90518747
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-nitrophenyl)methanesulfonamide
CID 92683075
1-(dimethylsulfamoylamino)-3-nitrobenzene
CID 721778
N-(3-nitrophenyl)propane-2-sulfonamide
CID 62998710
3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
CID 28581002
4-[(3-nitrophenyl)methylsulfonyl]piperazin-2-one
CID 53417712
4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 2810723
3-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 54967768
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[4-(propylsulfamoyl)phenyl]urea
CID 118780196

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide?
The IUPAC name of N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide (CID 57300931) is N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide is O=C1NCCN1CCS(=O)(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide?
The InChIKey is RSRWSXFTWSJTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5S/c16-11-12-4-5-14(11)6-7-21(19,20)13-9-2-1-3-10(8-9)15(17)18/h1-3,8,13H,4-7H2,(H,12,16).
What are the key properties of N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide?
N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide has a molecular weight of 314.32 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide is sourced from PubChem (CID 57300931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).