4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide

C12H6BrF4NO2S — CID 116528581

IUPAC4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1F)c1ccc(Br)cc1F
InChIInChI=1S/C12H6BrF4NO2S/c13-6-1-2-11(8(15)3-6)21(19,20)18-10-5-7(14)4-9(16)12(10)17/h1-5,18H
InChIKeySCEOOGFUGJHKCG-UHFFFAOYSA-N
MW384.15 g/mol
LogP3.81
Rot. Bonds3

About 4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide

4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide (PubChem CID 116528581) has the molecular formula C12H6BrF4NO2S and a molecular weight of 384.15 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
PubChem CID116528581
Molecular FormulaC12H6BrF4NO2S
Molecular Weight384.15 g/mol
Exact Mass382.92
IUPAC Name4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1F)c1ccc(Br)cc1F
InChIInChI=1S/C12H6BrF4NO2S/c13-6-1-2-11(8(15)3-6)21(19,20)18-10-5-7(14)4-9(16)12(10)17/h1-5,18H
InChIKeySCEOOGFUGJHKCG-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.15
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
4-amino-2-methyl-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62809289
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide (CID 116528581) is 4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1F)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide?
The InChIKey is SCEOOGFUGJHKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF4NO2S/c13-6-1-2-11(8(15)3-6)21(19,20)18-10-5-7(14)4-9(16)12(10)17/h1-5,18H.
What are the key properties of 4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide has a molecular weight of 384.15 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 116528581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).