2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide

C8H8F2N2O5S — CID 80695092

IUPAC2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(OCCF)cc1F
InChIInChI=1S/C8H8F2N2O5S/c9-1-2-17-7-3-5(10)8(18(11,15)16)4-6(7)12(13)14/h3-4H,1-2H2,(H2,11,15,16)
InChIKeyIYTDKXUDAASOEB-UHFFFAOYSA-N
MW282.22 g/mol
LogP0.73
Rot. Bonds5

About 2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide

2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide (PubChem CID 80695092) has the molecular formula C8H8F2N2O5S and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide
PubChem CID80695092
Molecular FormulaC8H8F2N2O5S
Molecular Weight282.22 g/mol
Exact Mass282.01
IUPAC Name2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(OCCF)cc1F
InChIInChI=1S/C8H8F2N2O5S/c9-1-2-17-7-3-5(10)8(18(11,15)16)4-6(7)12(13)14/h3-4H,1-2H2,(H2,11,15,16)
InChIKeyIYTDKXUDAASOEB-UHFFFAOYSA-N
XLogP0.73
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82913819
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103484224
2-fluoro-5-nitro-4-pentan-2-yloxybenzenesulfonamide
CID 107896255
4-(4-chlorosulfonyl-5-fluoro-2-nitrophenoxy)butanoic acid
CID 43247005
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
CID 103483928
4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 43457148
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonyl chloride
CID 103484203
1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene
CID 118852889
4-(2-aminoethoxy)-3-nitrobenzenesulfonamide
CID 62347424
3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide
CID 80695759
2-fluoro-5-nitro-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909970
2-methyl-5-nitro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43342373

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide (CID 80695092) is 2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])c(OCCF)cc1F.
What is the InChIKey of 2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide?
The InChIKey is IYTDKXUDAASOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O5S/c9-1-2-17-7-3-5(10)8(18(11,15)16)4-6(7)12(13)14/h3-4H,1-2H2,(H2,11,15,16).
What are the key properties of 2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide?
2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide has a molecular weight of 282.22 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 80695092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).