2-methoxy-2-phenylethanesulfonyl chloride

C9H11ClO3S — CID 105495595

IUPAC2-methoxy-2-phenylethanesulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)c1ccccc1
InChIInChI=1S/C9H11ClO3S/c1-13-9(7-14(10,11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyMDRJHFBEKLVMKG-UHFFFAOYSA-N
MW234.70 g/mol
LogP1.94
Rot. Bonds4

About 2-methoxy-2-phenylethanesulfonyl chloride

2-methoxy-2-phenylethanesulfonyl chloride (PubChem CID 105495595) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 2-methoxy-2-phenylethanesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-2-phenylethanesulfonyl chloride
PubChem CID105495595
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name2-methoxy-2-phenylethanesulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)c1ccccc1
InChIInChI=1S/C9H11ClO3S/c1-13-9(7-14(10,11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyMDRJHFBEKLVMKG-UHFFFAOYSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenylethanesulfonyl chloride?
The IUPAC name of 2-methoxy-2-phenylethanesulfonyl chloride (CID 105495595) is 2-methoxy-2-phenylethanesulfonyl chloride.
What is the SMILES notation for 2-methoxy-2-phenylethanesulfonyl chloride?
The canonical SMILES for 2-methoxy-2-phenylethanesulfonyl chloride is COC(CS(=O)(=O)Cl)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenylethanesulfonyl chloride?
The InChIKey is MDRJHFBEKLVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-13-9(7-14(10,11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of 2-methoxy-2-phenylethanesulfonyl chloride?
2-methoxy-2-phenylethanesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenylethanesulfonyl chloride is sourced from PubChem (CID 105495595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).