2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide

C8H10FN3O4S — CID 61036668

IUPAC2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
SMILESCCNc1cc([N+](=O)[O-])cc(F)c1S(N)(=O)=O
InChIInChI=1S/C8H10FN3O4S/c1-2-11-7-4-5(12(13)14)3-6(9)8(7)17(10,15)16/h3-4,11H,2H2,1H3,(H2,10,15,16)
InChIKeyFGOBFBWROBYKQF-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.81
Rot. Bonds4

About 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide

2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide (PubChem CID 61036668) has the molecular formula C8H10FN3O4S and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
PubChem CID61036668
Molecular FormulaC8H10FN3O4S
Molecular Weight263.25 g/mol
Exact Mass263.04
IUPAC Name2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
SMILESCCNc1cc([N+](=O)[O-])cc(F)c1S(N)(=O)=O
InChIInChI=1S/C8H10FN3O4S/c1-2-11-7-4-5(12(13)14)3-6(9)8(7)17(10,15)16/h3-4,11H,2H2,1H3,(H2,10,15,16)
InChIKeyFGOBFBWROBYKQF-UHFFFAOYSA-N
XLogP0.81
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
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'}

Analyze 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide 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 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide?
The IUPAC name of 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide (CID 61036668) is 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide is CCNc1cc([N+](=O)[O-])cc(F)c1S(N)(=O)=O.
What is the InChIKey of 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide?
The InChIKey is FGOBFBWROBYKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O4S/c1-2-11-7-4-5(12(13)14)3-6(9)8(7)17(10,15)16/h3-4,11H,2H2,1H3,(H2,10,15,16).
What are the key properties of 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide?
2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide has a molecular weight of 263.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide is sourced from PubChem (CID 61036668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).