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

C12H8Br2FNO2S — CID 97455644

IUPAC4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)c1ccc(Br)cc1F
InChIInChI=1S/C12H8Br2FNO2S/c13-8-5-6-12(10(15)7-8)19(17,18)16-11-4-2-1-3-9(11)14/h1-7,16H
InChIKeyKDZRKMMPNYQGSI-UHFFFAOYSA-N
MW409.07 g/mol
LogP4.15
Rot. Bonds3

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

4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide (PubChem CID 97455644) has the molecular formula C12H8Br2FNO2S and a molecular weight of 409.07 g/mol. Its IUPAC name is 4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
PubChem CID97455644
Molecular FormulaC12H8Br2FNO2S
Molecular Weight409.07 g/mol
Exact Mass406.86
IUPAC Name4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)c1ccc(Br)cc1F
InChIInChI=1S/C12H8Br2FNO2S/c13-8-5-6-12(10(15)7-8)19(17,18)16-11-4-2-1-3-9(11)14/h1-7,16H
InChIKeyKDZRKMMPNYQGSI-UHFFFAOYSA-N
XLogP4.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.07
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
CID 103480213
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134
4-bromo-2-fluoro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 116528581
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 106007285

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide (CID 97455644) is 4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccccc1Br)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is KDZRKMMPNYQGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FNO2S/c13-8-5-6-12(10(15)7-8)19(17,18)16-11-4-2-1-3-9(11)14/h1-7,16H.
What are the key properties of 4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 409.07 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 97455644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).