3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride

C10H11ClF2O3S — CID 82915058

IUPAC3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
SMILESCC(C)COc1c(F)cc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClF2O3S/c1-6(2)5-16-10-8(13)3-7(12)4-9(10)17(11,14)15/h3-4,6H,5H2,1-2H3
InChIKeyUWZJHZNVFNUMBP-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.93
Rot. Bonds4

About 3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride

3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride (PubChem CID 82915058) has the molecular formula C10H11ClF2O3S and a molecular weight of 284.71 g/mol. Its IUPAC name is 3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
PubChem CID82915058
Molecular FormulaC10H11ClF2O3S
Molecular Weight284.71 g/mol
Exact Mass284.01
IUPAC Name3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
SMILESCC(C)COc1c(F)cc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClF2O3S/c1-6(2)5-16-10-8(13)3-7(12)4-9(10)17(11,14)15/h3-4,6H,5H2,1-2H3
InChIKeyUWZJHZNVFNUMBP-UHFFFAOYSA-N
XLogP2.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
3,5-dimethyl-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915232
3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82921679
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82912184
3,5-difluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82912358
2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921537
2-(2-ethylbutoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 82927294
3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride
CID 84711718
5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
2-methylpropyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65397926
4-(2-ethylbutoxy)-3,5-difluorobenzenesulfonyl chloride
CID 82927491

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride?
The IUPAC name of 3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride (CID 82915058) is 3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride?
The canonical SMILES for 3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride is CC(C)COc1c(F)cc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride?
The InChIKey is UWZJHZNVFNUMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O3S/c1-6(2)5-16-10-8(13)3-7(12)4-9(10)17(11,14)15/h3-4,6H,5H2,1-2H3.
What are the key properties of 3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride?
3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride has a molecular weight of 284.71 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82915058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).