2,3,3-trimethylbutane-1-sulfonyl chloride

C7H15ClO2S — CID 83637644

IUPAC2,3,3-trimethylbutane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)C(C)(C)C
InChIInChI=1S/C7H15ClO2S/c1-6(7(2,3)4)5-11(8,9)10/h6H,5H2,1-4H3
InChIKeyFIHIWQISPMBNAT-UHFFFAOYSA-N
MW198.71 g/mol
LogP2.24
Rot. Bonds2

About 2,3,3-trimethylbutane-1-sulfonyl chloride

2,3,3-trimethylbutane-1-sulfonyl chloride (PubChem CID 83637644) has the molecular formula C7H15ClO2S and a molecular weight of 198.71 g/mol. Its IUPAC name is 2,3,3-trimethylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,3,3-trimethylbutane-1-sulfonyl chloride
PubChem CID83637644
Molecular FormulaC7H15ClO2S
Molecular Weight198.71 g/mol
Exact Mass198.05
IUPAC Name2,3,3-trimethylbutane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)C(C)(C)C
InChIInChI=1S/C7H15ClO2S/c1-6(7(2,3)4)5-11(8,9)10/h6H,5H2,1-4H3
InChIKeyFIHIWQISPMBNAT-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.71
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylbutane-1-sulfonyl chloride?
The IUPAC name of 2,3,3-trimethylbutane-1-sulfonyl chloride (CID 83637644) is 2,3,3-trimethylbutane-1-sulfonyl chloride.
What is the SMILES notation for 2,3,3-trimethylbutane-1-sulfonyl chloride?
The canonical SMILES for 2,3,3-trimethylbutane-1-sulfonyl chloride is CC(CS(=O)(=O)Cl)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethylbutane-1-sulfonyl chloride?
The InChIKey is FIHIWQISPMBNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2S/c1-6(7(2,3)4)5-11(8,9)10/h6H,5H2,1-4H3.
What are the key properties of 2,3,3-trimethylbutane-1-sulfonyl chloride?
2,3,3-trimethylbutane-1-sulfonyl chloride has a molecular weight of 198.71 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylbutane-1-sulfonyl chloride is sourced from PubChem (CID 83637644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).