N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide

C12H8BrF2NO2S — CID 28939220

IUPACN-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C12H8BrF2NO2S/c13-9-7-8(14)5-6-11(9)16-19(17,18)12-4-2-1-3-10(12)15/h1-7,16H
InChIKeyHJWWPQPLDKZLDD-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.53
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide

N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide (PubChem CID 28939220) has the molecular formula C12H8BrF2NO2S and a molecular weight of 348.17 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
PubChem CID28939220
Molecular FormulaC12H8BrF2NO2S
Molecular Weight348.17 g/mol
Exact Mass346.94
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C12H8BrF2NO2S/c13-9-7-8(14)5-6-11(9)16-19(17,18)12-4-2-1-3-10(12)15/h1-7,16H
InChIKeyHJWWPQPLDKZLDD-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3773683
methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate
CID 3831628
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
2-amino-N-(2-bromo-4-fluorophenyl)pyridine-3-sulfonamide
CID 62144064
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide (CID 28939220) is N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1Br)c1ccccc1F.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is HJWWPQPLDKZLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2S/c13-9-7-8(14)5-6-11(9)16-19(17,18)12-4-2-1-3-10(12)15/h1-7,16H.
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide?
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 348.17 g/mol, XLogP of 3.53, 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-fluorobenzenesulfonamide is sourced from PubChem (CID 28939220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).