9,9-dimethylxanthene-2-sulfonyl chloride

C15H13ClO3S — CID 63669162

IUPAC9,9-dimethylxanthene-2-sulfonyl chloride
SMILESCC1(C)c2ccccc2Oc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C15H13ClO3S/c1-15(2)11-5-3-4-6-13(11)19-14-8-7-10(9-12(14)15)20(16,17)18/h3-9H,1-2H3
InChIKeyMQMOAVJWVUNDHC-UHFFFAOYSA-N
MW308.79 g/mol
LogP4.05
Rot. Bonds1

About 9,9-dimethylxanthene-2-sulfonyl chloride

9,9-dimethylxanthene-2-sulfonyl chloride (PubChem CID 63669162) has the molecular formula C15H13ClO3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 9,9-dimethylxanthene-2-sulfonyl chloride.

Molecular Properties

Compound Name9,9-dimethylxanthene-2-sulfonyl chloride
PubChem CID63669162
Molecular FormulaC15H13ClO3S
Molecular Weight308.79 g/mol
Exact Mass308.03
IUPAC Name9,9-dimethylxanthene-2-sulfonyl chloride
SMILESCC1(C)c2ccccc2Oc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C15H13ClO3S/c1-15(2)11-5-3-4-6-13(11)19-14-8-7-10(9-12(14)15)20(16,17)18/h3-9H,1-2H3
InChIKeyMQMOAVJWVUNDHC-UHFFFAOYSA-N
XLogP4.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylxanthene-2-sulfonyl chloride?
The IUPAC name of 9,9-dimethylxanthene-2-sulfonyl chloride (CID 63669162) is 9,9-dimethylxanthene-2-sulfonyl chloride.
What is the SMILES notation for 9,9-dimethylxanthene-2-sulfonyl chloride?
The canonical SMILES for 9,9-dimethylxanthene-2-sulfonyl chloride is CC1(C)c2ccccc2Oc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 9,9-dimethylxanthene-2-sulfonyl chloride?
The InChIKey is MQMOAVJWVUNDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3S/c1-15(2)11-5-3-4-6-13(11)19-14-8-7-10(9-12(14)15)20(16,17)18/h3-9H,1-2H3.
What are the key properties of 9,9-dimethylxanthene-2-sulfonyl chloride?
9,9-dimethylxanthene-2-sulfonyl chloride has a molecular weight of 308.79 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylxanthene-2-sulfonyl chloride is sourced from PubChem (CID 63669162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).