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

C12H7Br2F2NO2S — CID 47257455

IUPAC2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1F)c1ccc(F)cc1Br
InChIInChI=1S/C12H7Br2F2NO2S/c13-7-1-3-11(10(16)5-7)17-20(18,19)12-4-2-8(15)6-9(12)14/h1-6,17H
InChIKeyRXBRQRHISZDZOM-UHFFFAOYSA-N
MW427.06 g/mol
LogP4.29
Rot. Bonds3

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

2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 47257455) has the molecular formula C12H7Br2F2NO2S and a molecular weight of 427.06 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
PubChem CID47257455
Molecular FormulaC12H7Br2F2NO2S
Molecular Weight427.06 g/mol
Exact Mass424.85
IUPAC Name2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1F)c1ccc(F)cc1Br
InChIInChI=1S/C12H7Br2F2NO2S/c13-7-1-3-11(10(16)5-7)17-20(18,19)12-4-2-8(15)6-9(12)14/h1-6,17H
InChIKeyRXBRQRHISZDZOM-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.06
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
4-amino-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 43256411
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 47309798
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide
CID 62871190

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide (CID 47257455) is 2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is RXBRQRHISZDZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F2NO2S/c13-7-1-3-11(10(16)5-7)17-20(18,19)12-4-2-8(15)6-9(12)14/h1-6,17H.
What are the key properties of 2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide?
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 427.06 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 47257455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).