5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C13H14FN3O3S — CID 65482063

IUPAC5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C13H14FN3O3S/c1-2-20-11-5-4-10(15)7-12(11)21(18,19)17-13-6-3-9(14)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyHBGZLUXXNXEMQC-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.00
Rot. Bonds5

About 5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 65482063) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID65482063
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC Name5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C13H14FN3O3S/c1-2-20-11-5-4-10(15)7-12(11)21(18,19)17-13-6-3-9(14)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyHBGZLUXXNXEMQC-UHFFFAOYSA-N
XLogP2.00
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 65482063) is 5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)Nc1ccc(F)cn1.
What is the InChIKey of 5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is HBGZLUXXNXEMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-2-20-11-5-4-10(15)7-12(11)21(18,19)17-13-6-3-9(14)8-16-13/h3-8H,2,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 311.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 65482063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).