(3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride

C8H7ClF2O3S — CID 19876363

IUPAC(3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)ccc(F)c1F
InChIInChI=1S/C8H7ClF2O3S/c1-14-8-5(4-15(9,12)13)2-3-6(10)7(8)11/h2-3H,4H2,1H3
InChIKeyLBZHLXDKTFICIY-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.04
Rot. Bonds3

About (3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride

(3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride (PubChem CID 19876363) has the molecular formula C8H7ClF2O3S and a molecular weight of 256.66 g/mol. Its IUPAC name is (3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride
PubChem CID19876363
Molecular FormulaC8H7ClF2O3S
Molecular Weight256.66 g/mol
Exact Mass255.98
IUPAC Name(3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)ccc(F)c1F
InChIInChI=1S/C8H7ClF2O3S/c1-14-8-5(4-15(9,12)13)2-3-6(10)7(8)11/h2-3H,4H2,1H3
InChIKeyLBZHLXDKTFICIY-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride (CID 19876363) is (3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride is COc1c(CS(=O)(=O)Cl)ccc(F)c1F.
What is the InChIKey of (3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is LBZHLXDKTFICIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O3S/c1-14-8-5(4-15(9,12)13)2-3-6(10)7(8)11/h2-3H,4H2,1H3.
What are the key properties of (3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride?
(3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 256.66 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-2-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 19876363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).