4-(chlorosulfonylmethyl)benzenesulfonyl fluoride

C7H6ClFO4S2 — CID 117062919

IUPAC4-(chlorosulfonylmethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(Cl)Cc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C7H6ClFO4S2/c8-14(10,11)5-6-1-3-7(4-2-6)15(9,12)13/h1-4H,5H2
InChIKeyXKERQHZMSFJOQO-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.41
Rot. Bonds3

About 4-(chlorosulfonylmethyl)benzenesulfonyl fluoride

4-(chlorosulfonylmethyl)benzenesulfonyl fluoride (PubChem CID 117062919) has the molecular formula C7H6ClFO4S2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 4-(chlorosulfonylmethyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(chlorosulfonylmethyl)benzenesulfonyl fluoride
PubChem CID117062919
Molecular FormulaC7H6ClFO4S2
Molecular Weight272.71 g/mol
Exact Mass271.94
IUPAC Name4-(chlorosulfonylmethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(Cl)Cc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C7H6ClFO4S2/c8-14(10,11)5-6-1-3-7(4-2-6)15(9,12)13/h1-4H,5H2
InChIKeyXKERQHZMSFJOQO-UHFFFAOYSA-N
XLogP1.41
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(chlorosulfonylmethyl)benzenesulfonyl fluoride?
The IUPAC name of 4-(chlorosulfonylmethyl)benzenesulfonyl fluoride (CID 117062919) is 4-(chlorosulfonylmethyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(chlorosulfonylmethyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(chlorosulfonylmethyl)benzenesulfonyl fluoride is O=S(=O)(Cl)Cc1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-(chlorosulfonylmethyl)benzenesulfonyl fluoride?
The InChIKey is XKERQHZMSFJOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO4S2/c8-14(10,11)5-6-1-3-7(4-2-6)15(9,12)13/h1-4H,5H2.
What are the key properties of 4-(chlorosulfonylmethyl)benzenesulfonyl fluoride?
4-(chlorosulfonylmethyl)benzenesulfonyl fluoride has a molecular weight of 272.71 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chlorosulfonylmethyl)benzenesulfonyl fluoride is sourced from PubChem (CID 117062919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).