(2,5-difluorophenyl)methanesulfonyl chloride

C7H5ClF2O2S — CID 2761456

IUPAC(2,5-difluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(F)ccc1F
InChIInChI=1S/C7H5ClF2O2S/c8-13(11,12)4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKeyQBVRECXGNKZPIM-UHFFFAOYSA-N
MW226.63 g/mol
LogP2.03
Rot. Bonds2

About (2,5-difluorophenyl)methanesulfonyl chloride

(2,5-difluorophenyl)methanesulfonyl chloride (PubChem CID 2761456) has the molecular formula C7H5ClF2O2S and a molecular weight of 226.63 g/mol. Its IUPAC name is (2,5-difluorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,5-difluorophenyl)methanesulfonyl chloride
PubChem CID2761456
Molecular FormulaC7H5ClF2O2S
Molecular Weight226.63 g/mol
Exact Mass225.97
IUPAC Name(2,5-difluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(F)ccc1F
InChIInChI=1S/C7H5ClF2O2S/c8-13(11,12)4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKeyQBVRECXGNKZPIM-UHFFFAOYSA-N
XLogP2.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methanesulfonyl chloride?
The IUPAC name of (2,5-difluorophenyl)methanesulfonyl chloride (CID 2761456) is (2,5-difluorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (2,5-difluorophenyl)methanesulfonyl chloride?
The canonical SMILES for (2,5-difluorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)methanesulfonyl chloride?
The InChIKey is QBVRECXGNKZPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O2S/c8-13(11,12)4-5-3-6(9)1-2-7(5)10/h1-3H,4H2.
What are the key properties of (2,5-difluorophenyl)methanesulfonyl chloride?
(2,5-difluorophenyl)methanesulfonyl chloride has a molecular weight of 226.63 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 2761456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).