5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide

C9H12ClFN2O3S — CID 43256953

IUPAC5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C9H12ClFN2O3S/c1-16-3-2-13-17(14,15)8-5-6(12)4-7(10)9(8)11/h4-5,13H,2-3,12H2,1H3
InChIKeyLPXAGPFLDROHLQ-UHFFFAOYSA-N
MW282.72 g/mol
LogP0.99
Rot. Bonds5

About 5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 43256953) has the molecular formula C9H12ClFN2O3S and a molecular weight of 282.72 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID43256953
Molecular FormulaC9H12ClFN2O3S
Molecular Weight282.72 g/mol
Exact Mass282.02
IUPAC Name5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C9H12ClFN2O3S/c1-16-3-2-13-17(14,15)8-5-6(12)4-7(10)9(8)11/h4-5,13H,2-3,12H2,1H3
InChIKeyLPXAGPFLDROHLQ-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 43256953) is 5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is LPXAGPFLDROHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O3S/c1-16-3-2-13-17(14,15)8-5-6(12)4-7(10)9(8)11/h4-5,13H,2-3,12H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 282.72 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 43256953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).