2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride

C10H11ClO3S — CID 15611038

IUPAC2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride
SMILESCC1(C)Cc2cc(S(=O)(=O)Cl)ccc2O1
InChIInChI=1S/C10H11ClO3S/c1-10(2)6-7-5-8(15(11,12)13)3-4-9(7)14-10/h3-5H,6H2,1-2H3
InChIKeySPOYJMNDIKTIEJ-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.33
Rot. Bonds1

About 2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride

2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride (PubChem CID 15611038) has the molecular formula C10H11ClO3S and a molecular weight of 246.71 g/mol. Its IUPAC name is 2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride.

Molecular Properties

Compound Name2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride
PubChem CID15611038
Molecular FormulaC10H11ClO3S
Molecular Weight246.71 g/mol
Exact Mass246.01
IUPAC Name2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride
SMILESCC1(C)Cc2cc(S(=O)(=O)Cl)ccc2O1
InChIInChI=1S/C10H11ClO3S/c1-10(2)6-7-5-8(15(11,12)13)3-4-9(7)14-10/h3-5H,6H2,1-2H3
InChIKeySPOYJMNDIKTIEJ-UHFFFAOYSA-N
XLogP2.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride?
The IUPAC name of 2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride (CID 15611038) is 2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride.
What is the SMILES notation for 2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride?
The canonical SMILES for 2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride is CC1(C)Cc2cc(S(=O)(=O)Cl)ccc2O1.
What is the InChIKey of 2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride?
The InChIKey is SPOYJMNDIKTIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c1-10(2)6-7-5-8(15(11,12)13)3-4-9(7)14-10/h3-5H,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride?
2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride has a molecular weight of 246.71 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride is sourced from PubChem (CID 15611038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).