2,5-dimethylfuran-3-sulfonyl chloride

C6H7ClO3S — CID 2795024

IUPAC2,5-dimethylfuran-3-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C6H7ClO3S/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3
InChIKeyPIXAQZAVANAGLE-UHFFFAOYSA-N
MW194.64 g/mol
LogP1.82
Rot. Bonds1

About 2,5-dimethylfuran-3-sulfonyl chloride

2,5-dimethylfuran-3-sulfonyl chloride (PubChem CID 2795024) has the molecular formula C6H7ClO3S and a molecular weight of 194.64 g/mol. Its IUPAC name is 2,5-dimethylfuran-3-sulfonyl chloride.

Molecular Properties

Compound Name2,5-dimethylfuran-3-sulfonyl chloride
PubChem CID2795024
Molecular FormulaC6H7ClO3S
Molecular Weight194.64 g/mol
Exact Mass193.98
IUPAC Name2,5-dimethylfuran-3-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C6H7ClO3S/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3
InChIKeyPIXAQZAVANAGLE-UHFFFAOYSA-N
XLogP1.82
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3-furanthiol
CID 34286
2,5-Dimethyl-3-furanthiol
CID 41569
2,5-Dimethyl-3-(methylthio)furan
CID 143990
Bis(2,5-dimethyl-3-furyl) disulfide
CID 642117
2,5-Dimethyl-3-(methyldithio)furan
CID 20313888
2,5-Dimethyl-3-thioacetoxyfuran
CID 108764
Cimlanod
CID 76685198
5-Methyl-3-furanthiol
CID 15128425
5-Methylfuran-2-sulfonamide
CID 11423751
2-Furanthiol, 5-methyl-
CID 143754
2,5-Dimethylfuran-3-sulfonamide
CID 57575205
5-Methylfuran-2-sulfonyl chloride
CID 17864361

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran-3-sulfonyl chloride?
The IUPAC name of 2,5-dimethylfuran-3-sulfonyl chloride (CID 2795024) is 2,5-dimethylfuran-3-sulfonyl chloride.
What is the SMILES notation for 2,5-dimethylfuran-3-sulfonyl chloride?
The canonical SMILES for 2,5-dimethylfuran-3-sulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)o1.
What is the InChIKey of 2,5-dimethylfuran-3-sulfonyl chloride?
The InChIKey is PIXAQZAVANAGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO3S/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3.
What are the key properties of 2,5-dimethylfuran-3-sulfonyl chloride?
2,5-dimethylfuran-3-sulfonyl chloride has a molecular weight of 194.64 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran-3-sulfonyl chloride is sourced from PubChem (CID 2795024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).