2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide

C12H9BrClFN2O2S — CID 69134797

IUPAC2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide
SMILESNc1ccc(Cl)c(-c2c(S(N)(=O)=O)ccc(Br)c2F)c1
InChIInChI=1S/C12H9BrClFN2O2S/c13-8-2-4-10(20(17,18)19)11(12(8)15)7-5-6(16)1-3-9(7)14/h1-5H,16H2,(H2,17,18,19)
InChIKeyDPCXSKNFHWUDTM-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.14
Rot. Bonds2

About 2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide

2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide (PubChem CID 69134797) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide
PubChem CID69134797
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC Name2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide
SMILESNc1ccc(Cl)c(-c2c(S(N)(=O)=O)ccc(Br)c2F)c1
InChIInChI=1S/C12H9BrClFN2O2S/c13-8-2-4-10(20(17,18)19)11(12(8)15)7-5-6(16)1-3-9(7)14/h1-5H,16H2,(H2,17,18,19)
InChIKeyDPCXSKNFHWUDTM-UHFFFAOYSA-N
XLogP3.14
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.14
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 2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide (CID 69134797) is 2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide is Nc1ccc(Cl)c(-c2c(S(N)(=O)=O)ccc(Br)c2F)c1.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide?
The InChIKey is DPCXSKNFHWUDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c13-8-2-4-10(20(17,18)19)11(12(8)15)7-5-6(16)1-3-9(7)14/h1-5H,16H2,(H2,17,18,19).
What are the key properties of 2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide?
2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide has a molecular weight of 379.64 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide is sourced from PubChem (CID 69134797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).