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

C7H6BrCl2NO2S — CID 83083816

IUPAC1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C7H6BrCl2NO2S/c8-4-14(12,13)11-7-5(9)2-1-3-6(7)10/h1-3,11H,4H2
InChIKeyWBQXCVFIUNUYDF-UHFFFAOYSA-N
MW319.01 g/mol
LogP3.09
Rot. Bonds3

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

1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide (PubChem CID 83083816) has the molecular formula C7H6BrCl2NO2S and a molecular weight of 319.01 g/mol. Its IUPAC name is 1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide
PubChem CID83083816
Molecular FormulaC7H6BrCl2NO2S
Molecular Weight319.01 g/mol
Exact Mass316.87
IUPAC Name1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C7H6BrCl2NO2S/c8-4-14(12,13)11-7-5(9)2-1-3-6(7)10/h1-3,11H,4H2
InChIKeyWBQXCVFIUNUYDF-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.01
LogP ≤ 53.09
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

1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
CID 83084493
1-bromo-N-(2,6-dibromophenyl)methanesulfonamide
CID 107602651
1,3-dichloro-2-(sulfamoylamino)benzene
CID 16648290
1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide
CID 83083916
1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
CID 107681652
N-(2-chloro-6-methylphenyl)-2-(methylamino)ethanesulfonamide
CID 66256869
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
N-(2-amino-6-chlorophenyl)-1-cyclopropylmethanesulfonamide
CID 64987356
1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide
CID 106070690
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757
1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide
CID 104727985
1-amino-3-chloro-2-(sulfamoylamino)benzene
CID 114958705

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide (CID 83083816) is 1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide is O=S(=O)(CBr)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide?
The InChIKey is WBQXCVFIUNUYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl2NO2S/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-dichlorophenyl)methanesulfonamide?
1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide has a molecular weight of 319.01 g/mol, XLogP of 3.09, 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-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 83083816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).