5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride

C8H7ClF2O3S — CID 84708899

IUPAC5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H7ClF2O3S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4,8H,1H3
InChIKeyCCCKJOQHYVOEJO-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.56
Rot. Bonds3

About 5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride

5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride (PubChem CID 84708899) has the molecular formula C8H7ClF2O3S and a molecular weight of 256.66 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride
PubChem CID84708899
Molecular FormulaC8H7ClF2O3S
Molecular Weight256.66 g/mol
Exact Mass255.98
IUPAC Name5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H7ClF2O3S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4,8H,1H3
InChIKeyCCCKJOQHYVOEJO-UHFFFAOYSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride (CID 84708899) is 5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride is COc1ccc(C(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride?
The InChIKey is CCCKJOQHYVOEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O3S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4,8H,1H3.
What are the key properties of 5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride?
5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride has a molecular weight of 256.66 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84708899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).