N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide

C6H10N4O5S — CID 73211789

IUPACN-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide
SMILESO=[N+]([O-])c1nccn1CS(=O)(=O)NCCO
InChIInChI=1S/C6H10N4O5S/c11-4-2-8-16(14,15)5-9-3-1-7-6(9)10(12)13/h1,3,8,11H,2,4-5H2
InChIKeyPCALTIOLOURSDY-UHFFFAOYSA-N
MW250.24 g/mol
LogP-1.34
Rot. Bonds6

About N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide

N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide (PubChem CID 73211789) has the molecular formula C6H10N4O5S and a molecular weight of 250.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide
PubChem CID73211789
Molecular FormulaC6H10N4O5S
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC NameN-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide
SMILESO=[N+]([O-])c1nccn1CS(=O)(=O)NCCO
InChIInChI=1S/C6H10N4O5S/c11-4-2-8-16(14,15)5-9-3-1-7-6(9)10(12)13/h1,3,8,11H,2,4-5H2
InChIKeyPCALTIOLOURSDY-UHFFFAOYSA-N
XLogP-1.34
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-1.34
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)-1-(2-nitroimidazol-1-yl)methanesulfonamide 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)-1-(2-nitroimidazol-1-yl)methanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide (CID 73211789) is N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide is O=[N+]([O-])c1nccn1CS(=O)(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide?
The InChIKey is PCALTIOLOURSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O5S/c11-4-2-8-16(14,15)5-9-3-1-7-6(9)10(12)13/h1,3,8,11H,2,4-5H2.
What are the key properties of N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide?
N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide has a molecular weight of 250.24 g/mol, XLogP of -1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide is sourced from PubChem (CID 73211789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).