N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide

C8H14N4O5S — CID 73331786

IUPACN-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
SMILESCc1ncc([N+](=O)[O-])n1CCS(=O)(=O)NCCO
InChIInChI=1S/C8H14N4O5S/c1-7-9-6-8(12(14)15)11(7)3-5-18(16,17)10-2-4-13/h6,10,13H,2-5H2,1H3
InChIKeyYXHVNFYXIOSPIC-UHFFFAOYSA-N
MW278.29 g/mol
LogP-0.99
Rot. Bonds7

About N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide

N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide (PubChem CID 73331786) has the molecular formula C8H14N4O5S and a molecular weight of 278.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
PubChem CID73331786
Molecular FormulaC8H14N4O5S
Molecular Weight278.29 g/mol
Exact Mass278.07
IUPAC NameN-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
SMILESCc1ncc([N+](=O)[O-])n1CCS(=O)(=O)NCCO
InChIInChI=1S/C8H14N4O5S/c1-7-9-6-8(12(14)15)11(7)3-5-18(16,17)10-2-4-13/h6,10,13H,2-5H2,1H3
InChIKeyYXHVNFYXIOSPIC-UHFFFAOYSA-N
XLogP-0.99
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide (CID 73331786) is N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide is Cc1ncc([N+](=O)[O-])n1CCS(=O)(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The InChIKey is YXHVNFYXIOSPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O5S/c1-7-9-6-8(12(14)15)11(7)3-5-18(16,17)10-2-4-13/h6,10,13H,2-5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide has a molecular weight of 278.29 g/mol, XLogP of -0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 73331786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).