2,3,3-trimethylbutane-2-sulfonyl chloride

C7H15ClO2S — CID 116866363

IUPAC2,3,3-trimethylbutane-2-sulfonyl chloride
SMILESCC(C)(C)C(C)(C)S(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-6(2,3)7(4,5)11(8,9)10/h1-5H3
InChIKeyNTRDHTVBUDGEOL-UHFFFAOYSA-N
MW198.71 g/mol
LogP2.38
Rot. Bonds1

About 2,3,3-trimethylbutane-2-sulfonyl chloride

2,3,3-trimethylbutane-2-sulfonyl chloride (PubChem CID 116866363) has the molecular formula C7H15ClO2S and a molecular weight of 198.71 g/mol. Its IUPAC name is 2,3,3-trimethylbutane-2-sulfonyl chloride.

Molecular Properties

Compound Name2,3,3-trimethylbutane-2-sulfonyl chloride
PubChem CID116866363
Molecular FormulaC7H15ClO2S
Molecular Weight198.71 g/mol
Exact Mass198.05
IUPAC Name2,3,3-trimethylbutane-2-sulfonyl chloride
SMILESCC(C)(C)C(C)(C)S(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-6(2,3)7(4,5)11(8,9)10/h1-5H3
InChIKeyNTRDHTVBUDGEOL-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.71
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diiodoethanesulfonyl chloride
CID 54187049
2-tert-butylsulfonyl-2,3,3-trimethylbutane
CID 58548756
1-chloro-2-methylpropane-2-sulfonyl chloride
CID 135077312
potassium;methane;2-methylpropan-2-olate;sulfuryl dichloride
CID 173139081
tert-butylazanium;hydrogen sulfate
CID 24996679
2-(4-methylcyclohexyl)propane-2-sulfonyl chloride
CID 165474295
azane;trifluoromethanesulfonyl chloride
CID 87630754
CID 161087643
CID 161087643
2,3,3-trimethylbutan-2-ylsulfonylcyclopentane
CID 71106121
1,1,1-trifluoro-2-methylpropane-2-sulfonate
CID 159704009
CID 15787726
CID 15787726
2-chloro-2-methylpropane-1-sulfonyl chloride
CID 55280039

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylbutane-2-sulfonyl chloride?
The IUPAC name of 2,3,3-trimethylbutane-2-sulfonyl chloride (CID 116866363) is 2,3,3-trimethylbutane-2-sulfonyl chloride.
What is the SMILES notation for 2,3,3-trimethylbutane-2-sulfonyl chloride?
The canonical SMILES for 2,3,3-trimethylbutane-2-sulfonyl chloride is CC(C)(C)C(C)(C)S(=O)(=O)Cl.
What is the InChIKey of 2,3,3-trimethylbutane-2-sulfonyl chloride?
The InChIKey is NTRDHTVBUDGEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2S/c1-6(2,3)7(4,5)11(8,9)10/h1-5H3.
What are the key properties of 2,3,3-trimethylbutane-2-sulfonyl chloride?
2,3,3-trimethylbutane-2-sulfonyl chloride has a molecular weight of 198.71 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylbutane-2-sulfonyl chloride is sourced from PubChem (CID 116866363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).