2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride

C7H3ClF2O4S — CID 22500053

IUPAC2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C7H3ClF2O4S/c8-15(11,12)4-1-2-5-6(3-4)14-7(9,10)13-5/h1-3H
InChIKeySRKKEBOPDXVTLV-UHFFFAOYSA-N
MW256.61 g/mol
LogP1.94
Rot. Bonds1

About 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride

2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride (PubChem CID 22500053) has the molecular formula C7H3ClF2O4S and a molecular weight of 256.61 g/mol. Its IUPAC name is 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride.

Molecular Properties

Compound Name2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride
PubChem CID22500053
Molecular FormulaC7H3ClF2O4S
Molecular Weight256.61 g/mol
Exact Mass255.94
IUPAC Name2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C7H3ClF2O4S/c8-15(11,12)4-1-2-5-6(3-4)14-7(9,10)13-5/h1-3H
InChIKeySRKKEBOPDXVTLV-UHFFFAOYSA-N
XLogP1.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.61
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride?
The IUPAC name of 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride (CID 22500053) is 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride.
What is the SMILES notation for 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride?
The canonical SMILES for 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride?
The InChIKey is SRKKEBOPDXVTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2O4S/c8-15(11,12)4-1-2-5-6(3-4)14-7(9,10)13-5/h1-3H.
What are the key properties of 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride?
2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride has a molecular weight of 256.61 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride is sourced from PubChem (CID 22500053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).