N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide

C7H12N4O5S — CID 73331641

IUPACN-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide
SMILESCOCCNS(=O)(=O)Cn1cnc([N+](=O)[O-])c1
InChIInChI=1S/C7H12N4O5S/c1-16-3-2-9-17(14,15)6-10-4-7(8-5-10)11(12)13/h4-5,9H,2-3,6H2,1H3
InChIKeyHDTNMZLFDOVRQZ-UHFFFAOYSA-N
MW264.26 g/mol
LogP-0.69
Rot. Bonds7

About N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide

N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide (PubChem CID 73331641) has the molecular formula C7H12N4O5S and a molecular weight of 264.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide
PubChem CID73331641
Molecular FormulaC7H12N4O5S
Molecular Weight264.26 g/mol
Exact Mass264.05
IUPAC NameN-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide
SMILESCOCCNS(=O)(=O)Cn1cnc([N+](=O)[O-])c1
InChIInChI=1S/C7H12N4O5S/c1-16-3-2-9-17(14,15)6-10-4-7(8-5-10)11(12)13/h4-5,9H,2-3,6H2,1H3
InChIKeyHDTNMZLFDOVRQZ-UHFFFAOYSA-N
XLogP-0.69
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide (CID 73331641) is N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide is COCCNS(=O)(=O)Cn1cnc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide?
The InChIKey is HDTNMZLFDOVRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O5S/c1-16-3-2-9-17(14,15)6-10-4-7(8-5-10)11(12)13/h4-5,9H,2-3,6H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide?
N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide has a molecular weight of 264.26 g/mol, XLogP of -0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide is sourced from PubChem (CID 73331641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).