chlorosulfonylmethyl 2,2-dimethylpropanoate

C6H11ClO4S — CID 135151279

IUPACchlorosulfonylmethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO4S/c1-6(2,3)5(8)11-4-12(7,9)10/h4H2,1-3H3
InChIKeyKQNYEWJYYFQEFI-UHFFFAOYSA-N
MW214.67 g/mol
LogP1.10
Rot. Bonds2

About chlorosulfonylmethyl 2,2-dimethylpropanoate

chlorosulfonylmethyl 2,2-dimethylpropanoate (PubChem CID 135151279) has the molecular formula C6H11ClO4S and a molecular weight of 214.67 g/mol. Its IUPAC name is chlorosulfonylmethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namechlorosulfonylmethyl 2,2-dimethylpropanoate
PubChem CID135151279
Molecular FormulaC6H11ClO4S
Molecular Weight214.67 g/mol
Exact Mass214.01
IUPAC Namechlorosulfonylmethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO4S/c1-6(2,3)5(8)11-4-12(7,9)10/h4H2,1-3H3
InChIKeyKQNYEWJYYFQEFI-UHFFFAOYSA-N
XLogP1.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of chlorosulfonylmethyl 2,2-dimethylpropanoate?
The IUPAC name of chlorosulfonylmethyl 2,2-dimethylpropanoate (CID 135151279) is chlorosulfonylmethyl 2,2-dimethylpropanoate.
What is the SMILES notation for chlorosulfonylmethyl 2,2-dimethylpropanoate?
The canonical SMILES for chlorosulfonylmethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCS(=O)(=O)Cl.
What is the InChIKey of chlorosulfonylmethyl 2,2-dimethylpropanoate?
The InChIKey is KQNYEWJYYFQEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO4S/c1-6(2,3)5(8)11-4-12(7,9)10/h4H2,1-3H3.
What are the key properties of chlorosulfonylmethyl 2,2-dimethylpropanoate?
chlorosulfonylmethyl 2,2-dimethylpropanoate has a molecular weight of 214.67 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonylmethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 135151279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).