2,3-dimethylbutane-2-sulfonyl chloride

C6H13ClO2S — CID 91092354

IUPAC2,3-dimethylbutane-2-sulfonyl chloride
SMILESCC(C)C(C)(C)S(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-5(2)6(3,4)10(7,8)9/h5H,1-4H3
InChIKeyYATAMLJJLDYTBL-UHFFFAOYSA-N
MW184.69 g/mol
LogP1.99
Rot. Bonds2

About 2,3-dimethylbutane-2-sulfonyl chloride

2,3-dimethylbutane-2-sulfonyl chloride (PubChem CID 91092354) has the molecular formula C6H13ClO2S and a molecular weight of 184.69 g/mol. Its IUPAC name is 2,3-dimethylbutane-2-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dimethylbutane-2-sulfonyl chloride
PubChem CID91092354
Molecular FormulaC6H13ClO2S
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name2,3-dimethylbutane-2-sulfonyl chloride
SMILESCC(C)C(C)(C)S(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-5(2)6(3,4)10(7,8)9/h5H,1-4H3
InChIKeyYATAMLJJLDYTBL-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2-sulfonyl chloride?
The IUPAC name of 2,3-dimethylbutane-2-sulfonyl chloride (CID 91092354) is 2,3-dimethylbutane-2-sulfonyl chloride.
What is the SMILES notation for 2,3-dimethylbutane-2-sulfonyl chloride?
The canonical SMILES for 2,3-dimethylbutane-2-sulfonyl chloride is CC(C)C(C)(C)S(=O)(=O)Cl.
What is the InChIKey of 2,3-dimethylbutane-2-sulfonyl chloride?
The InChIKey is YATAMLJJLDYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2S/c1-5(2)6(3,4)10(7,8)9/h5H,1-4H3.
What are the key properties of 2,3-dimethylbutane-2-sulfonyl chloride?
2,3-dimethylbutane-2-sulfonyl chloride has a molecular weight of 184.69 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2-sulfonyl chloride is sourced from PubChem (CID 91092354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).