3-methyl-1-benzofuran-4-sulfonyl chloride

C9H7ClO3S — CID 83823871

IUPAC3-methyl-1-benzofuran-4-sulfonyl chloride
SMILESCc1coc2cccc(S(=O)(=O)Cl)c12
InChIInChI=1S/C9H7ClO3S/c1-6-5-13-7-3-2-4-8(9(6)7)14(10,11)12/h2-5H,1H3
InChIKeyKLFCDQLIHPXGKS-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.67
Rot. Bonds1

About 3-methyl-1-benzofuran-4-sulfonyl chloride

3-methyl-1-benzofuran-4-sulfonyl chloride (PubChem CID 83823871) has the molecular formula C9H7ClO3S and a molecular weight of 230.67 g/mol. Its IUPAC name is 3-methyl-1-benzofuran-4-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-1-benzofuran-4-sulfonyl chloride
PubChem CID83823871
Molecular FormulaC9H7ClO3S
Molecular Weight230.67 g/mol
Exact Mass229.98
IUPAC Name3-methyl-1-benzofuran-4-sulfonyl chloride
SMILESCc1coc2cccc(S(=O)(=O)Cl)c12
InChIInChI=1S/C9H7ClO3S/c1-6-5-13-7-3-2-4-8(9(6)7)14(10,11)12/h2-5H,1H3
InChIKeyKLFCDQLIHPXGKS-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-benzofuran-4-sulfonyl chloride?
The IUPAC name of 3-methyl-1-benzofuran-4-sulfonyl chloride (CID 83823871) is 3-methyl-1-benzofuran-4-sulfonyl chloride.
What is the SMILES notation for 3-methyl-1-benzofuran-4-sulfonyl chloride?
The canonical SMILES for 3-methyl-1-benzofuran-4-sulfonyl chloride is Cc1coc2cccc(S(=O)(=O)Cl)c12.
What is the InChIKey of 3-methyl-1-benzofuran-4-sulfonyl chloride?
The InChIKey is KLFCDQLIHPXGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO3S/c1-6-5-13-7-3-2-4-8(9(6)7)14(10,11)12/h2-5H,1H3.
What are the key properties of 3-methyl-1-benzofuran-4-sulfonyl chloride?
3-methyl-1-benzofuran-4-sulfonyl chloride has a molecular weight of 230.67 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-benzofuran-4-sulfonyl chloride is sourced from PubChem (CID 83823871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).