2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide

C13H11Br2FN2O2S — CID 106088872

IUPAC2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C13H11Br2FN2O2S/c14-10-2-1-3-11(15)13(10)18-21(19,20)12-6-9(16)5-4-8(12)7-17/h1-6,18H,7,17H2
InChIKeyGRAMBTFZESHIKL-UHFFFAOYSA-N
MW438.12 g/mol
LogP3.61
Rot. Bonds4

About 2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide

2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide (PubChem CID 106088872) has the molecular formula C13H11Br2FN2O2S and a molecular weight of 438.12 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide
PubChem CID106088872
Molecular FormulaC13H11Br2FN2O2S
Molecular Weight438.12 g/mol
Exact Mass435.89
IUPAC Name2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C13H11Br2FN2O2S/c14-10-2-1-3-11(15)13(10)18-21(19,20)12-6-9(16)5-4-8(12)7-17/h1-6,18H,7,17H2
InChIKeyGRAMBTFZESHIKL-UHFFFAOYSA-N
XLogP3.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.12
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060604
2-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-5-fluorobenzenesulfonamide
CID 106067079
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide
CID 106051903
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide
CID 106060439
N-[2-(aminomethyl)phenyl]-2-bromo-4-fluorobenzenesulfonamide
CID 64895248
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 106031148
2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 16781852
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
2-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 102920830
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
CID 106088506

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide (CID 106088872) is 2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide is NCc1ccc(F)cc1S(=O)(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide?
The InChIKey is GRAMBTFZESHIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2O2S/c14-10-2-1-3-11(15)13(10)18-21(19,20)12-6-9(16)5-4-8(12)7-17/h1-6,18H,7,17H2.
What are the key properties of 2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide?
2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide has a molecular weight of 438.12 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106088872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).