2-chloro-4-(difluoromethyl)benzenesulfonyl chloride

C7H4Cl2F2O2S — CID 84710368

IUPAC2-chloro-4-(difluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)F)cc1Cl
InChIInChI=1S/C7H4Cl2F2O2S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3,7H
InChIKeyLJNVMQCREBXXKD-UHFFFAOYSA-N
MW261.08 g/mol
LogP3.21
Rot. Bonds2

About 2-chloro-4-(difluoromethyl)benzenesulfonyl chloride

2-chloro-4-(difluoromethyl)benzenesulfonyl chloride (PubChem CID 84710368) has the molecular formula C7H4Cl2F2O2S and a molecular weight of 261.08 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)benzenesulfonyl chloride
PubChem CID84710368
Molecular FormulaC7H4Cl2F2O2S
Molecular Weight261.08 g/mol
Exact Mass259.93
IUPAC Name2-chloro-4-(difluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)F)cc1Cl
InChIInChI=1S/C7H4Cl2F2O2S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3,7H
InChIKeyLJNVMQCREBXXKD-UHFFFAOYSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-(difluoromethyl)benzenesulfonyl chloride (CID 84710368) is 2-chloro-4-(difluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-(difluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(C(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethyl)benzenesulfonyl chloride?
The InChIKey is LJNVMQCREBXXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O2S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3,7H.
What are the key properties of 2-chloro-4-(difluoromethyl)benzenesulfonyl chloride?
2-chloro-4-(difluoromethyl)benzenesulfonyl chloride has a molecular weight of 261.08 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 84710368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).