2-(chloromethyl)-3-fluorobenzenesulfonyl chloride

C7H5Cl2FO2S — CID 83271541

IUPAC2-(chloromethyl)-3-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(F)c1CCl
InChIInChI=1S/C7H5Cl2FO2S/c8-4-5-6(10)2-1-3-7(5)13(9,11)12/h1-3H,4H2
InChIKeyMZICUZAYLZEKJV-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.49
Rot. Bonds2

About 2-(chloromethyl)-3-fluorobenzenesulfonyl chloride

2-(chloromethyl)-3-fluorobenzenesulfonyl chloride (PubChem CID 83271541) has the molecular formula C7H5Cl2FO2S and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(chloromethyl)-3-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(chloromethyl)-3-fluorobenzenesulfonyl chloride
PubChem CID83271541
Molecular FormulaC7H5Cl2FO2S
Molecular Weight243.09 g/mol
Exact Mass241.94
IUPAC Name2-(chloromethyl)-3-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(F)c1CCl
InChIInChI=1S/C7H5Cl2FO2S/c8-4-5-6(10)2-1-3-7(5)13(9,11)12/h1-3H,4H2
InChIKeyMZICUZAYLZEKJV-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

o-Toluenesulfonyl chloride
CID 8623
2-Trifluoromethylbenzenesulphonyl chloride
CID 136616
1-(Chloromethyl)-2-(methylsulfonyl)benzene
CID 16641699
4-(Chloromethyl)benzene-1-sulfonyl chloride
CID 22501399
5-Fluoro-2-methylbenzenesulphonyl chloride
CID 136286
4-Fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride
CID 2737548
4-Fluoro-2-methylbenzenesulfonyl chloride
CID 2778602
4-(2-chloroethyl)benzenesulfonyl Chloride
CID 4914675
4-(3-Chloropropyl)benzenesulfonyl chloride
CID 12256594
2-(Chloromethyl)benzene-1-sulfonyl chloride
CID 12404757
2-Fluoro-6-methylbenzene-1-sulfonyl chloride
CID 22910460
3-Fluoro-2-methylbenzene-1-sulfonyl chloride
CID 24820485

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-(chloromethyl)-3-fluorobenzenesulfonyl chloride (CID 83271541) is 2-(chloromethyl)-3-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-(chloromethyl)-3-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-(chloromethyl)-3-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(F)c1CCl.
What is the InChIKey of 2-(chloromethyl)-3-fluorobenzenesulfonyl chloride?
The InChIKey is MZICUZAYLZEKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO2S/c8-4-5-6(10)2-1-3-7(5)13(9,11)12/h1-3H,4H2.
What are the key properties of 2-(chloromethyl)-3-fluorobenzenesulfonyl chloride?
2-(chloromethyl)-3-fluorobenzenesulfonyl chloride has a molecular weight of 243.09 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 83271541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).