4-amino-2-ethyl-3-fluorobenzenesulfonamide

C8H11FN2O2S — CID 174775663

IUPAC4-amino-2-ethyl-3-fluorobenzenesulfonamide
SMILESCCc1c(S(N)(=O)=O)ccc(N)c1F
InChIInChI=1S/C8H11FN2O2S/c1-2-5-7(14(11,12)13)4-3-6(10)8(5)9/h3-4H,2,10H2,1H3,(H2,11,12,13)
InChIKeyWICSWSNXNMYPNJ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.62
Rot. Bonds2

About 4-amino-2-ethyl-3-fluorobenzenesulfonamide

4-amino-2-ethyl-3-fluorobenzenesulfonamide (PubChem CID 174775663) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-amino-2-ethyl-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-ethyl-3-fluorobenzenesulfonamide
PubChem CID174775663
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name4-amino-2-ethyl-3-fluorobenzenesulfonamide
SMILESCCc1c(S(N)(=O)=O)ccc(N)c1F
InChIInChI=1S/C8H11FN2O2S/c1-2-5-7(14(11,12)13)4-3-6(10)8(5)9/h3-4H,2,10H2,1H3,(H2,11,12,13)
InChIKeyWICSWSNXNMYPNJ-UHFFFAOYSA-N
XLogP0.62
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-2-ethyl-3-fluorobenzenesulfonamide (CID 174775663) is 4-amino-2-ethyl-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-2-ethyl-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-2-ethyl-3-fluorobenzenesulfonamide is CCc1c(S(N)(=O)=O)ccc(N)c1F.
What is the InChIKey of 4-amino-2-ethyl-3-fluorobenzenesulfonamide?
The InChIKey is WICSWSNXNMYPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-2-5-7(14(11,12)13)4-3-6(10)8(5)9/h3-4H,2,10H2,1H3,(H2,11,12,13).
What are the key properties of 4-amino-2-ethyl-3-fluorobenzenesulfonamide?
4-amino-2-ethyl-3-fluorobenzenesulfonamide has a molecular weight of 218.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-3-fluorobenzenesulfonamide is sourced from PubChem (CID 174775663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).