3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide

C8H9BrClFN2O2S — CID 103077157

IUPAC3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C8H9BrClFN2O2S/c1-2-13-16(14,15)5-3-4(10)6(9)8(12)7(5)11/h3,13H,2,12H2,1H3
InChIKeyXJHLQOZBAVAXSD-UHFFFAOYSA-N
MW331.59 g/mol
LogP2.12
Rot. Bonds3

About 3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide

3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 103077157) has the molecular formula C8H9BrClFN2O2S and a molecular weight of 331.59 g/mol. Its IUPAC name is 3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID103077157
Molecular FormulaC8H9BrClFN2O2S
Molecular Weight331.59 g/mol
Exact Mass329.92
IUPAC Name3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C8H9BrClFN2O2S/c1-2-13-16(14,15)5-3-4(10)6(9)8(12)7(5)11/h3,13H,2,12H2,1H3
InChIKeyXJHLQOZBAVAXSD-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide (CID 103077157) is 3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide is CCNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F.
What is the InChIKey of 3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is XJHLQOZBAVAXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClFN2O2S/c1-2-13-16(14,15)5-3-4(10)6(9)8(12)7(5)11/h3,13H,2,12H2,1H3.
What are the key properties of 3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide?
3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 331.59 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-5-chloro-N-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103077157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).