4-cyano-3,5-diiodobenzenesulfonyl chloride

C7H2ClI2NO2S — CID 118844807

IUPAC4-cyano-3,5-diiodobenzenesulfonyl chloride
SMILESN#Cc1c(I)cc(S(=O)(=O)Cl)cc1I
InChIInChI=1S/C7H2ClI2NO2S/c8-14(12,13)4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChIKeyZPSMVTJRJFXMFK-UHFFFAOYSA-N
MW453.43 g/mol
LogP2.69
Rot. Bonds1

About 4-cyano-3,5-diiodobenzenesulfonyl chloride

4-cyano-3,5-diiodobenzenesulfonyl chloride (PubChem CID 118844807) has the molecular formula C7H2ClI2NO2S and a molecular weight of 453.43 g/mol. Its IUPAC name is 4-cyano-3,5-diiodobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-cyano-3,5-diiodobenzenesulfonyl chloride
PubChem CID118844807
Molecular FormulaC7H2ClI2NO2S
Molecular Weight453.43 g/mol
Exact Mass452.76
IUPAC Name4-cyano-3,5-diiodobenzenesulfonyl chloride
SMILESN#Cc1c(I)cc(S(=O)(=O)Cl)cc1I
InChIInChI=1S/C7H2ClI2NO2S/c8-14(12,13)4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChIKeyZPSMVTJRJFXMFK-UHFFFAOYSA-N
XLogP2.69
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.43
LogP ≤ 52.69
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-3-ethyl-5-iodobenzenesulfonyl chloride
CID 118850460
4-cyano-3-iodo-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 118833698
4-cyano-3-ethyl-5-sulfanylbenzenesulfonyl chloride
CID 131602734
3-chloro-4-cyano-5-nitrobenzenesulfonyl chloride
CID 131488589
3-cyano-5-fluorobenzenesulfonyl chloride
CID 55280684
3-chloro-5-cyano-4-methylbenzenesulfonyl chloride
CID 130778089
2-(chloromethyl)-6-iodo-4-nitrobenzonitrile
CID 171020083
2,4-dichloro-6-iodobenzonitrile
CID 102368246
4-bromo-3-cyano-2-iodobenzenesulfonyl chloride
CID 118850809
5-cyano-3-iodo-2-methylbenzenesulfonyl chloride
CID 130836807
4-cyano-2-iodo-6-methylbenzenesulfonyl chloride
CID 118816132
2-bromo-4-cyano-6-iodobenzenesulfonyl chloride
CID 130663376

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3,5-diiodobenzenesulfonyl chloride?
The IUPAC name of 4-cyano-3,5-diiodobenzenesulfonyl chloride (CID 118844807) is 4-cyano-3,5-diiodobenzenesulfonyl chloride.
What is the SMILES notation for 4-cyano-3,5-diiodobenzenesulfonyl chloride?
The canonical SMILES for 4-cyano-3,5-diiodobenzenesulfonyl chloride is N#Cc1c(I)cc(S(=O)(=O)Cl)cc1I.
What is the InChIKey of 4-cyano-3,5-diiodobenzenesulfonyl chloride?
The InChIKey is ZPSMVTJRJFXMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClI2NO2S/c8-14(12,13)4-1-6(9)5(3-11)7(10)2-4/h1-2H.
What are the key properties of 4-cyano-3,5-diiodobenzenesulfonyl chloride?
4-cyano-3,5-diiodobenzenesulfonyl chloride has a molecular weight of 453.43 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3,5-diiodobenzenesulfonyl chloride is sourced from PubChem (CID 118844807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).