5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide

C8H10ClFN2O2S — CID 43257036

IUPAC5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C8H10ClFN2O2S/c1-2-12-15(13,14)7-4-5(11)3-6(9)8(7)10/h3-4,12H,2,11H2,1H3
InChIKeyHRPNEJAYSCQZPO-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.36
Rot. Bonds3

About 5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide

5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 43257036) has the molecular formula C8H10ClFN2O2S and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID43257036
Molecular FormulaC8H10ClFN2O2S
Molecular Weight252.70 g/mol
Exact Mass252.01
IUPAC Name5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C8H10ClFN2O2S/c1-2-12-15(13,14)7-4-5(11)3-6(9)8(7)10/h3-4,12H,2,11H2,1H3
InChIKeyHRPNEJAYSCQZPO-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.36
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 5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide (CID 43257036) is 5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide is CCNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is HRPNEJAYSCQZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2S/c1-2-12-15(13,14)7-4-5(11)3-6(9)8(7)10/h3-4,12H,2,11H2,1H3.
What are the key properties of 5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 252.70 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43257036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).