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

C10H11ClO3S — CID 18445401

IUPAC3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride
SMILESCC1(C)COc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H11ClO3S/c1-10(2)6-14-9-4-3-7(5-8(9)10)15(11,12)13/h3-5H,6H2,1-2H3
InChIKeyYHAMGSLQVPEDTQ-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.28
Rot. Bonds1

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

3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride (PubChem CID 18445401) has the molecular formula C10H11ClO3S and a molecular weight of 246.71 g/mol. Its IUPAC name is 3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride.

Molecular Properties

Compound Name3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride
PubChem CID18445401
Molecular FormulaC10H11ClO3S
Molecular Weight246.71 g/mol
Exact Mass246.01
IUPAC Name3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride
SMILESCC1(C)COc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H11ClO3S/c1-10(2)6-14-9-4-3-7(5-8(9)10)15(11,12)13/h3-5H,6H2,1-2H3
InChIKeyYHAMGSLQVPEDTQ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride?
The IUPAC name of 3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride (CID 18445401) is 3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride.
What is the SMILES notation for 3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride?
The canonical SMILES for 3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride is CC1(C)COc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride?
The InChIKey is YHAMGSLQVPEDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c1-10(2)6-14-9-4-3-7(5-8(9)10)15(11,12)13/h3-5H,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride?
3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride has a molecular weight of 246.71 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride is sourced from PubChem (CID 18445401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).