N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide

C12H7BrF3NO2S — CID 43328562

IUPACN-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)c1ccc(F)cc1F
InChIInChI=1S/C12H7BrF3NO2S/c13-9-5-7(14)1-3-11(9)17-20(18,19)12-4-2-8(15)6-10(12)16/h1-6,17H
InChIKeyREUVZGNTGVJRMA-UHFFFAOYSA-N
MW366.16 g/mol
LogP3.67
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide

N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 43328562) has the molecular formula C12H7BrF3NO2S and a molecular weight of 366.16 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
PubChem CID43328562
Molecular FormulaC12H7BrF3NO2S
Molecular Weight366.16 g/mol
Exact Mass364.93
IUPAC NameN-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)c1ccc(F)cc1F
InChIInChI=1S/C12H7BrF3NO2S/c13-9-5-7(14)1-3-11(9)17-20(18,19)12-4-2-8(15)6-10(12)16/h1-6,17H
InChIKeyREUVZGNTGVJRMA-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide (CID 43328562) is N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1Br)c1ccc(F)cc1F.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is REUVZGNTGVJRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO2S/c13-9-5-7(14)1-3-11(9)17-20(18,19)12-4-2-8(15)6-10(12)16/h1-6,17H.
What are the key properties of N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide?
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 366.16 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43328562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).