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

C7H12N4O5S — CID 73331646

IUPACN-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
SMILESO=[N+]([O-])c1nccn1CCS(=O)(=O)NCCO
InChIInChI=1S/C7H12N4O5S/c12-5-2-9-17(15,16)6-4-10-3-1-8-7(10)11(13)14/h1,3,9,12H,2,4-6H2
InChIKeyYRGHZNIPEWQHRJ-UHFFFAOYSA-N
MW264.26 g/mol
LogP-1.30
Rot. Bonds7

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

N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide (PubChem CID 73331646) has the molecular formula C7H12N4O5S and a molecular weight of 264.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
PubChem CID73331646
Molecular FormulaC7H12N4O5S
Molecular Weight264.26 g/mol
Exact Mass264.05
IUPAC NameN-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
SMILESO=[N+]([O-])c1nccn1CCS(=O)(=O)NCCO
InChIInChI=1S/C7H12N4O5S/c12-5-2-9-17(15,16)6-4-10-3-1-8-7(10)11(13)14/h1,3,9,12H,2,4-6H2
InChIKeyYRGHZNIPEWQHRJ-UHFFFAOYSA-N
XLogP-1.30
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-1.30
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide (CID 73331646) is N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide is O=[N+]([O-])c1nccn1CCS(=O)(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
The InChIKey is YRGHZNIPEWQHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O5S/c12-5-2-9-17(15,16)6-4-10-3-1-8-7(10)11(13)14/h1,3,9,12H,2,4-6H2.
What are the key properties of N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide has a molecular weight of 264.26 g/mol, XLogP of -1.30, 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-nitroimidazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 73331646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).