6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride

C8H5ClF2O4S — CID 84712749

IUPAC6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)F)cc2c1OCO2
InChIInChI=1S/C8H5ClF2O4S/c9-16(12,13)6-2-4(8(10)11)1-5-7(6)15-3-14-5/h1-2,8H,3H2
InChIKeyQHORERZKIGTXTA-UHFFFAOYSA-N
MW270.64 g/mol
LogP2.28
Rot. Bonds2

About 6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride

6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride (PubChem CID 84712749) has the molecular formula C8H5ClF2O4S and a molecular weight of 270.64 g/mol. Its IUPAC name is 6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
PubChem CID84712749
Molecular FormulaC8H5ClF2O4S
Molecular Weight270.64 g/mol
Exact Mass269.96
IUPAC Name6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)F)cc2c1OCO2
InChIInChI=1S/C8H5ClF2O4S/c9-16(12,13)6-2-4(8(10)11)1-5-7(6)15-3-14-5/h1-2,8H,3H2
InChIKeyQHORERZKIGTXTA-UHFFFAOYSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 84707691
2-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]acetic acid
CID 84693299
2-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]propan-2-amine
CID 117330067
2-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]-2-oxoacetic acid
CID 117361782
6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 83272082
1,3-benzodioxole-4-sulfonyl chloride
CID 22500110
2-amino-1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]propan-1-one
CID 84703739
4-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]butan-1-amine
CID 117359470
1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]-2-(methylamino)ethanol
CID 84705005
7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride
CID 43118893
[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine
CID 117426300
3-cyano-5-(difluoromethyl)-2-ethylbenzenesulfonyl chloride
CID 131468267

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride (CID 84712749) is 6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)F)cc2c1OCO2.
What is the InChIKey of 6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride?
The InChIKey is QHORERZKIGTXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O4S/c9-16(12,13)6-2-4(8(10)11)1-5-7(6)15-3-14-5/h1-2,8H,3H2.
What are the key properties of 6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride?
6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride has a molecular weight of 270.64 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride is sourced from PubChem (CID 84712749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).