2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide

C7H6BrF3N2O2S — CID 118995806

IUPAC2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide
SMILESNc1cc(Br)c(C(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C7H6BrF3N2O2S/c8-4-2-5(12)6(16(13,14)15)1-3(4)7(9,10)11/h1-2H,12H2,(H2,13,14,15)
InChIKeyRYGVADLVAZAWGU-UHFFFAOYSA-N
MW319.10 g/mol
LogP1.70
Rot. Bonds1

About 2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide

2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 118995806) has the molecular formula C7H6BrF3N2O2S and a molecular weight of 319.10 g/mol. Its IUPAC name is 2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide
PubChem CID118995806
Molecular FormulaC7H6BrF3N2O2S
Molecular Weight319.10 g/mol
Exact Mass317.93
IUPAC Name2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide
SMILESNc1cc(Br)c(C(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C7H6BrF3N2O2S/c8-4-2-5(12)6(16(13,14)15)1-3(4)7(9,10)11/h1-2H,12H2,(H2,13,14,15)
InChIKeyRYGVADLVAZAWGU-UHFFFAOYSA-N
XLogP1.70
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 51.70
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-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide (CID 118995806) is 2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide is Nc1cc(Br)c(C(F)(F)F)cc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RYGVADLVAZAWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O2S/c8-4-2-5(12)6(16(13,14)15)1-3(4)7(9,10)11/h1-2H,12H2,(H2,13,14,15).
What are the key properties of 2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide?
2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 319.10 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118995806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).