2-methylpropane-2-sulfonyl chloride

C4H9ClO2S — CID 12503843

IUPAC2-methylpropane-2-sulfonyl chloride
SMILESCC(C)(C)S(=O)(=O)Cl
InChIInChI=1S/C4H9ClO2S/c1-4(2,3)8(5,6)7/h1-3H3
InChIKeyWFBUQJSXXDVYFZ-UHFFFAOYSA-N
MW156.63 g/mol
LogP1.35
Rot. Bonds

About 2-methylpropane-2-sulfonyl chloride

2-methylpropane-2-sulfonyl chloride (PubChem CID 12503843) has the molecular formula C4H9ClO2S and a molecular weight of 156.63 g/mol. Its IUPAC name is 2-methylpropane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-methylpropane-2-sulfonyl chloride
PubChem CID12503843
Molecular FormulaC4H9ClO2S
Molecular Weight156.63 g/mol
Exact Mass156.00
IUPAC Name2-methylpropane-2-sulfonyl chloride
SMILESCC(C)(C)S(=O)(=O)Cl
InChIInChI=1S/C4H9ClO2S/c1-4(2,3)8(5,6)7/h1-3H3
InChIKeyWFBUQJSXXDVYFZ-UHFFFAOYSA-N
XLogP1.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.63
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-2-sulfonyl chloride?
The IUPAC name of 2-methylpropane-2-sulfonyl chloride (CID 12503843) is 2-methylpropane-2-sulfonyl chloride.
What is the SMILES notation for 2-methylpropane-2-sulfonyl chloride?
The canonical SMILES for 2-methylpropane-2-sulfonyl chloride is CC(C)(C)S(=O)(=O)Cl.
What is the InChIKey of 2-methylpropane-2-sulfonyl chloride?
The InChIKey is WFBUQJSXXDVYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO2S/c1-4(2,3)8(5,6)7/h1-3H3.
What are the key properties of 2-methylpropane-2-sulfonyl chloride?
2-methylpropane-2-sulfonyl chloride has a molecular weight of 156.63 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-2-sulfonyl chloride is sourced from PubChem (CID 12503843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).