2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide

C12H10BrFN2O2S — CID 43257635

IUPAC2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C12H10BrFN2O2S/c13-8-5-6-12(10(15)7-8)19(17,18)16-11-4-2-1-3-9(11)14/h1-7,16H,15H2
InChIKeyNROYTRMFOLVROK-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.97
Rot. Bonds3

About 2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide

2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 43257635) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID43257635
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C12H10BrFN2O2S/c13-8-5-6-12(10(15)7-8)19(17,18)16-11-4-2-1-3-9(11)14/h1-7,16H,15H2
InChIKeyNROYTRMFOLVROK-UHFFFAOYSA-N
XLogP2.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 52.97
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-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide (CID 43257635) is 2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is NROYTRMFOLVROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-8-5-6-12(10(15)7-8)19(17,18)16-11-4-2-1-3-9(11)14/h1-7,16H,15H2.
What are the key properties of 2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide?
2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 43257635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).