2-bromo-3-iodo-6-methylbenzenesulfonamide

C7H7BrINO2S — CID 171033362

IUPAC2-bromo-3-iodo-6-methylbenzenesulfonamide
SMILESCc1ccc(I)c(Br)c1S(N)(=O)=O
InChIInChI=1S/C7H7BrINO2S/c1-4-2-3-5(9)6(8)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyWRJQBIAALMMECQ-UHFFFAOYSA-N
MW376.01 g/mol
LogP2.01
Rot. Bonds1

About 2-bromo-3-iodo-6-methylbenzenesulfonamide

2-bromo-3-iodo-6-methylbenzenesulfonamide (PubChem CID 171033362) has the molecular formula C7H7BrINO2S and a molecular weight of 376.01 g/mol. Its IUPAC name is 2-bromo-3-iodo-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-iodo-6-methylbenzenesulfonamide
PubChem CID171033362
Molecular FormulaC7H7BrINO2S
Molecular Weight376.01 g/mol
Exact Mass374.84
IUPAC Name2-bromo-3-iodo-6-methylbenzenesulfonamide
SMILESCc1ccc(I)c(Br)c1S(N)(=O)=O
InChIInChI=1S/C7H7BrINO2S/c1-4-2-3-5(9)6(8)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyWRJQBIAALMMECQ-UHFFFAOYSA-N
XLogP2.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.01
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-iodo-3-methylbenzenesulfonamide
CID 171000958
1,2-diiodo-4-methyl-3-methylsulfonylbenzene
CID 142152443
2-bromo-3-iodo-6-methylbenzamide
CID 171033336
3-bromo-1,2-diiodo-4-methylbenzene
CID 164606306
2-bromo-5-iodo-4-methylbenzenesulfonamide
CID 171033366
2-bromo-3-iodo-6-methylbenzoic acid
CID 131271867
ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane
CID 159623365
6-bromo-3-fluoro-2-iodobenzenesulfonamide
CID 171033070
1-bromo-3-iodo-2-methylsulfonylbenzene
CID 175837376
2,3,5,6-tetramethylbenzenesulfonamide
CID 5028412
4-bromo-2-fluoro-6-iodobenzenesulfonamide
CID 171033063
2-methyl-6-propan-2-ylbenzenesulfonamide
CID 43173644

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-iodo-6-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-3-iodo-6-methylbenzenesulfonamide (CID 171033362) is 2-bromo-3-iodo-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-3-iodo-6-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-3-iodo-6-methylbenzenesulfonamide is Cc1ccc(I)c(Br)c1S(N)(=O)=O.
What is the InChIKey of 2-bromo-3-iodo-6-methylbenzenesulfonamide?
The InChIKey is WRJQBIAALMMECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrINO2S/c1-4-2-3-5(9)6(8)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 2-bromo-3-iodo-6-methylbenzenesulfonamide?
2-bromo-3-iodo-6-methylbenzenesulfonamide has a molecular weight of 376.01 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-iodo-6-methylbenzenesulfonamide is sourced from PubChem (CID 171033362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).