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

C13H8BrF4NO3S — CID 4965600

IUPACN-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8BrF4NO3S/c14-8-1-6-12(11(15)7-8)19-23(20,21)10-4-2-9(3-5-10)22-13(16,17)18/h1-7,19H
InChIKeyNFKAFGAHJLEYKY-UHFFFAOYSA-N
MW414.17 g/mol
LogP4.29
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 4965600) has the molecular formula C13H8BrF4NO3S and a molecular weight of 414.17 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID4965600
Molecular FormulaC13H8BrF4NO3S
Molecular Weight414.17 g/mol
Exact Mass412.93
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8BrF4NO3S/c14-8-1-6-12(11(15)7-8)19-23(20,21)10-4-2-9(3-5-10)22-13(16,17)18/h1-7,19H
InChIKeyNFKAFGAHJLEYKY-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.17
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 4965600) is N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is NFKAFGAHJLEYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4NO3S/c14-8-1-6-12(11(15)7-8)19-23(20,21)10-4-2-9(3-5-10)22-13(16,17)18/h1-7,19H.
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 414.17 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 4965600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).