2-bromo-4-cyano-6-iodobenzenesulfonyl chloride

C7H2BrClINO2S — CID 130663376

IUPAC2-bromo-4-cyano-6-iodobenzenesulfonyl chloride
SMILESN#Cc1cc(Br)c(S(=O)(=O)Cl)c(I)c1
InChIInChI=1S/C7H2BrClINO2S/c8-5-1-4(3-11)2-6(10)7(5)14(9,12)13/h1-2H
InChIKeyRIRKZETZOBQNLX-UHFFFAOYSA-N
MW406.43 g/mol
LogP2.85
Rot. Bonds1

About 2-bromo-4-cyano-6-iodobenzenesulfonyl chloride

2-bromo-4-cyano-6-iodobenzenesulfonyl chloride (PubChem CID 130663376) has the molecular formula C7H2BrClINO2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-bromo-4-cyano-6-iodobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-cyano-6-iodobenzenesulfonyl chloride
PubChem CID130663376
Molecular FormulaC7H2BrClINO2S
Molecular Weight406.43 g/mol
Exact Mass404.77
IUPAC Name2-bromo-4-cyano-6-iodobenzenesulfonyl chloride
SMILESN#Cc1cc(Br)c(S(=O)(=O)Cl)c(I)c1
InChIInChI=1S/C7H2BrClINO2S/c8-5-1-4(3-11)2-6(10)7(5)14(9,12)13/h1-2H
InChIKeyRIRKZETZOBQNLX-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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Related Compounds

4-cyano-2-iodo-6-methylbenzenesulfonyl chloride
CID 118816132
2-bromo-4-cyano-6-ethylbenzenesulfonyl chloride
CID 131404058
2-bromo-4-cyano-6-(trifluoromethoxy)benzenesulfonyl chloride
CID 131398746
4-cyano-2-iodo-6-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 118810905
5-cyano-3-iodo-2-methylbenzenesulfonyl chloride
CID 130836807
3-bromo-4-iodobenzonitrile
CID 26598355
2,3-dibromo-6-cyanobenzenesulfonyl chloride
CID 131170016
2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride
CID 130996596
4-bromo-2-cyano-3-iodobenzenesulfonyl chloride
CID 118817297
4-cyano-3,5-diiodobenzenesulfonyl chloride
CID 118844807
3-bromo-4-iodobenzenesulfonyl chloride
CID 63012795
2-chloro-5-cyano-3-fluorobenzenesulfonyl chloride
CID 130882205

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyano-6-iodobenzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-cyano-6-iodobenzenesulfonyl chloride (CID 130663376) is 2-bromo-4-cyano-6-iodobenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-cyano-6-iodobenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-cyano-6-iodobenzenesulfonyl chloride is N#Cc1cc(Br)c(S(=O)(=O)Cl)c(I)c1.
What is the InChIKey of 2-bromo-4-cyano-6-iodobenzenesulfonyl chloride?
The InChIKey is RIRKZETZOBQNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClINO2S/c8-5-1-4(3-11)2-6(10)7(5)14(9,12)13/h1-2H.
What are the key properties of 2-bromo-4-cyano-6-iodobenzenesulfonyl chloride?
2-bromo-4-cyano-6-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 2-bromo-4-cyano-6-iodobenzenesulfonyl chloride is sourced from PubChem (CID 130663376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).