3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide

C9H11FN2O6S — CID 80695759

IUPAC3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1c(OCCF)cc([N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C9H11FN2O6S/c1-17-9-7(18-3-2-10)4-6(12(13)14)5-8(9)19(11,15)16/h4-5H,2-3H2,1H3,(H2,11,15,16)
InChIKeyHLHDVYRLPSYDEB-UHFFFAOYSA-N
MW294.26 g/mol
LogP0.60
Rot. Bonds6

About 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide

3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide (PubChem CID 80695759) has the molecular formula C9H11FN2O6S and a molecular weight of 294.26 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide
PubChem CID80695759
Molecular FormulaC9H11FN2O6S
Molecular Weight294.26 g/mol
Exact Mass294.03
IUPAC Name3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1c(OCCF)cc([N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C9H11FN2O6S/c1-17-9-7(18-3-2-10)4-6(12(13)14)5-8(9)19(11,15)16/h4-5H,2-3H2,1H3,(H2,11,15,16)
InChIKeyHLHDVYRLPSYDEB-UHFFFAOYSA-N
XLogP0.60
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide 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-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide
CID 82914684
2-methoxy-3-(3-methylbut-2-enoxy)-5-nitrobenzenesulfonamide
CID 82913620
3-[(E)-3-chloroprop-2-enoxy]-2-methoxy-5-nitrobenzenesulfonamide
CID 82915272
2-methoxy-3-(3-methylbutoxy)-5-nitrobenzenesulfonyl chloride
CID 43247093
2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide
CID 80695092
2-(3,3-dimethylbutoxy)-3-fluoro-5-nitrobenzenesulfonamide
CID 61481383
3-fluoro-2-(3-methylbut-3-enoxy)-5-nitrobenzenesulfonamide
CID 114473027
2-(3-methylbutoxy)-5-nitrobenzenesulfonamide
CID 43342318
2-(4-methylpentoxy)-5-nitrobenzenesulfonamide
CID 83157782
1-chloro-2-methoxy-5-nitro-3-propoxybenzene
CID 125116278
2-methoxy-3-(2-methylidenebutoxy)-5-nitrobenzenesulfonyl chloride
CID 82913449
2-(2-methylsulfonylethoxy)-5-nitrobenzenesulfonamide
CID 61058675

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide?
The IUPAC name of 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide (CID 80695759) is 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide.
What is the SMILES notation for 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide?
The canonical SMILES for 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide is COc1c(OCCF)cc([N+](=O)[O-])cc1S(N)(=O)=O.
What is the InChIKey of 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide?
The InChIKey is HLHDVYRLPSYDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O6S/c1-17-9-7(18-3-2-10)4-6(12(13)14)5-8(9)19(11,15)16/h4-5H,2-3H2,1H3,(H2,11,15,16).
What are the key properties of 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide?
3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide has a molecular weight of 294.26 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide is sourced from PubChem (CID 80695759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).