4-bromo-3-cyano-2-iodobenzenesulfonyl chloride

C7H2BrClINO2S — CID 118850809

IUPAC4-bromo-3-cyano-2-iodobenzenesulfonyl chloride
SMILESN#Cc1c(Br)ccc(S(=O)(=O)Cl)c1I
InChIInChI=1S/C7H2BrClINO2S/c8-5-1-2-6(14(9,12)13)7(10)4(5)3-11/h1-2H
InChIKeyZVIXSNKZROWFPP-UHFFFAOYSA-N
MW406.43 g/mol
LogP2.85
Rot. Bonds1

About 4-bromo-3-cyano-2-iodobenzenesulfonyl chloride

4-bromo-3-cyano-2-iodobenzenesulfonyl chloride (PubChem CID 118850809) has the molecular formula C7H2BrClINO2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-bromo-3-cyano-2-iodobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3-cyano-2-iodobenzenesulfonyl chloride
PubChem CID118850809
Molecular FormulaC7H2BrClINO2S
Molecular Weight406.43 g/mol
Exact Mass404.77
IUPAC Name4-bromo-3-cyano-2-iodobenzenesulfonyl chloride
SMILESN#Cc1c(Br)ccc(S(=O)(=O)Cl)c1I
InChIInChI=1S/C7H2BrClINO2S/c8-5-1-2-6(14(9,12)13)7(10)4(5)3-11/h1-2H
InChIKeyZVIXSNKZROWFPP-UHFFFAOYSA-N
XLogP2.85
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-cyano-2-iodobenzenesulfonyl chloride?
The IUPAC name of 4-bromo-3-cyano-2-iodobenzenesulfonyl chloride (CID 118850809) is 4-bromo-3-cyano-2-iodobenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-3-cyano-2-iodobenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-3-cyano-2-iodobenzenesulfonyl chloride is N#Cc1c(Br)ccc(S(=O)(=O)Cl)c1I.
What is the InChIKey of 4-bromo-3-cyano-2-iodobenzenesulfonyl chloride?
The InChIKey is ZVIXSNKZROWFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClINO2S/c8-5-1-2-6(14(9,12)13)7(10)4(5)3-11/h1-2H.
What are the key properties of 4-bromo-3-cyano-2-iodobenzenesulfonyl chloride?
4-bromo-3-cyano-2-iodobenzenesulfonyl chloride has a molecular weight of 406.43 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-cyano-2-iodobenzenesulfonyl chloride is sourced from PubChem (CID 118850809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).