1-bromo-N-(2,6-dibromophenyl)methanesulfonamide

C7H6Br3NO2S — CID 107602651

IUPAC1-bromo-N-(2,6-dibromophenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1c(Br)cccc1Br
InChIInChI=1S/C7H6Br3NO2S/c8-4-14(12,13)11-7-5(9)2-1-3-6(7)10/h1-3,11H,4H2
InChIKeyPJERQFMDWUNZBB-UHFFFAOYSA-N
MW407.91 g/mol
LogP3.31
Rot. Bonds3

About 1-bromo-N-(2,6-dibromophenyl)methanesulfonamide

1-bromo-N-(2,6-dibromophenyl)methanesulfonamide (PubChem CID 107602651) has the molecular formula C7H6Br3NO2S and a molecular weight of 407.91 g/mol. Its IUPAC name is 1-bromo-N-(2,6-dibromophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2,6-dibromophenyl)methanesulfonamide
PubChem CID107602651
Molecular FormulaC7H6Br3NO2S
Molecular Weight407.91 g/mol
Exact Mass404.77
IUPAC Name1-bromo-N-(2,6-dibromophenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1c(Br)cccc1Br
InChIInChI=1S/C7H6Br3NO2S/c8-4-14(12,13)11-7-5(9)2-1-3-6(7)10/h1-3,11H,4H2
InChIKeyPJERQFMDWUNZBB-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-Amino-3,5-dibromobenzenesulfonamide
CID 3084733
2,6-Dibromoaniline
CID 69098
N-(4-Bromophenyl)methanesulfonamide
CID 706841
N-(2-bromophenyl)methanesulfonamide
CID 3629878
N-(3-bromophenyl)methanesulfonamide
CID 798932
N-(4-amino-2-bromophenyl)methanesulfonamide
CID 43550897
N-(2-Bromophenyl)aminosulfonamide
CID 16060442
N-(2-bromo-4-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 17937435
N-(2-bromo-4-fluorophenyl)methanesulfonamide
CID 17937436
N-(4-Bromo-2,6-difluorophenyl)methanesulfonamide
CID 21097534
N-(2-bromophenyl)-1,1-difluoromethanesulfonamide
CID 28607058
N-(2-bromo-3-fluorophenyl)methanesulfonamide
CID 67638843

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2,6-dibromophenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2,6-dibromophenyl)methanesulfonamide (CID 107602651) is 1-bromo-N-(2,6-dibromophenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2,6-dibromophenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2,6-dibromophenyl)methanesulfonamide is O=S(=O)(CBr)Nc1c(Br)cccc1Br.
What is the InChIKey of 1-bromo-N-(2,6-dibromophenyl)methanesulfonamide?
The InChIKey is PJERQFMDWUNZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br3NO2S/c8-4-14(12,13)11-7-5(9)2-1-3-6(7)10/h1-3,11H,4H2.
What are the key properties of 1-bromo-N-(2,6-dibromophenyl)methanesulfonamide?
1-bromo-N-(2,6-dibromophenyl)methanesulfonamide has a molecular weight of 407.91 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2,6-dibromophenyl)methanesulfonamide is sourced from PubChem (CID 107602651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).