2-bromo-5-iodo-4-methylbenzenesulfonamide

C7H7BrINO2S — CID 171033366

IUPAC2-bromo-5-iodo-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(N)(=O)=O)cc1I
InChIInChI=1S/C7H7BrINO2S/c1-4-2-5(8)7(3-6(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyDETWPMPUUVUAOM-UHFFFAOYSA-N
MW376.01 g/mol
LogP2.01
Rot. Bonds1

About 2-bromo-5-iodo-4-methylbenzenesulfonamide

2-bromo-5-iodo-4-methylbenzenesulfonamide (PubChem CID 171033366) has the molecular formula C7H7BrINO2S and a molecular weight of 376.01 g/mol. Its IUPAC name is 2-bromo-5-iodo-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-iodo-4-methylbenzenesulfonamide
PubChem CID171033366
Molecular FormulaC7H7BrINO2S
Molecular Weight376.01 g/mol
Exact Mass374.84
IUPAC Name2-bromo-5-iodo-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(N)(=O)=O)cc1I
InChIInChI=1S/C7H7BrINO2S/c1-4-2-5(8)7(3-6(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyDETWPMPUUVUAOM-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-5-iodo-4-methylbenzenesulfonyl chloride
CID 171000953
2-bromo-4-iodo-5-methylbenzenesulfonyl chloride
CID 171000930
2,4,5-trimethylbenzenesulfonamide
CID 961422
2,5-diiodo-4-methylbenzenesulfonic acid
CID 87444662
2-bromo-4-iodo-3-methylbenzenesulfonamide
CID 171000958
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
CID 166390787
2-bromo-3-iodo-6-methylbenzenesulfonamide
CID 171033362
4-bromo-5-iodo-2-methylaniline
CID 104815623
2,4-dimethyl-5-sulfanylbenzenesulfonamide
CID 67169814
methyl 2-bromo-4-methyl-5-sulfamoylbenzoate
CID 18937264
3-bromo-5-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 81488124

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-5-iodo-4-methylbenzenesulfonamide (CID 171033366) is 2-bromo-5-iodo-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-iodo-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-5-iodo-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(N)(=O)=O)cc1I.
What is the InChIKey of 2-bromo-5-iodo-4-methylbenzenesulfonamide?
The InChIKey is DETWPMPUUVUAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrINO2S/c1-4-2-5(8)7(3-6(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 2-bromo-5-iodo-4-methylbenzenesulfonamide?
2-bromo-5-iodo-4-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-5-iodo-4-methylbenzenesulfonamide is sourced from PubChem (CID 171033366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).