anisole;methanesulfonyl chloride

C8H11ClO3S — CID 162217178

IUPACanisole;methanesulfonyl chloride
SMILESCOc1ccccc1.CS(=O)(=O)Cl
InChIInChI=1S/C7H8O.CH3ClO2S/c1-8-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;1H3
InChIKeyZTQAVVHTRVKRBI-UHFFFAOYSA-N
MW222.69 g/mol
LogP1.88
Rot. Bonds1

About anisole;methanesulfonyl chloride

anisole;methanesulfonyl chloride (PubChem CID 162217178) has the molecular formula C8H11ClO3S and a molecular weight of 222.69 g/mol. Its IUPAC name is anisole;methanesulfonyl chloride.

Molecular Properties

Compound Nameanisole;methanesulfonyl chloride
PubChem CID162217178
Molecular FormulaC8H11ClO3S
Molecular Weight222.69 g/mol
Exact Mass222.01
IUPAC Nameanisole;methanesulfonyl chloride
SMILESCOc1ccccc1.CS(=O)(=O)Cl
InChIInChI=1S/C7H8O.CH3ClO2S/c1-8-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;1H3
InChIKeyZTQAVVHTRVKRBI-UHFFFAOYSA-N
XLogP1.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.69
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of anisole;methanesulfonyl chloride?
The IUPAC name of anisole;methanesulfonyl chloride (CID 162217178) is anisole;methanesulfonyl chloride.
What is the SMILES notation for anisole;methanesulfonyl chloride?
The canonical SMILES for anisole;methanesulfonyl chloride is COc1ccccc1.CS(=O)(=O)Cl.
What is the InChIKey of anisole;methanesulfonyl chloride?
The InChIKey is ZTQAVVHTRVKRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.CH3ClO2S/c1-8-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;1H3.
What are the key properties of anisole;methanesulfonyl chloride?
anisole;methanesulfonyl chloride has a molecular weight of 222.69 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;methanesulfonyl chloride is sourced from PubChem (CID 162217178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).