2,3-dimethylbutane-1-sulfonyl chloride

C6H13ClO2S — CID 24975118

IUPAC2,3-dimethylbutane-1-sulfonyl chloride
SMILESCC(C)C(C)CS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-5(2)6(3)4-10(7,8)9/h5-6H,4H2,1-3H3
InChIKeyMIOSINMTJQXFPB-UHFFFAOYSA-N
MW184.69 g/mol
LogP1.85
Rot. Bonds3

About 2,3-dimethylbutane-1-sulfonyl chloride

2,3-dimethylbutane-1-sulfonyl chloride (PubChem CID 24975118) has the molecular formula C6H13ClO2S and a molecular weight of 184.69 g/mol. Its IUPAC name is 2,3-dimethylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dimethylbutane-1-sulfonyl chloride
PubChem CID24975118
Molecular FormulaC6H13ClO2S
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name2,3-dimethylbutane-1-sulfonyl chloride
SMILESCC(C)C(C)CS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-5(2)6(3)4-10(7,8)9/h5-6H,4H2,1-3H3
InChIKeyMIOSINMTJQXFPB-UHFFFAOYSA-N
XLogP1.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-1-sulfonyl chloride?
The IUPAC name of 2,3-dimethylbutane-1-sulfonyl chloride (CID 24975118) is 2,3-dimethylbutane-1-sulfonyl chloride.
What is the SMILES notation for 2,3-dimethylbutane-1-sulfonyl chloride?
The canonical SMILES for 2,3-dimethylbutane-1-sulfonyl chloride is CC(C)C(C)CS(=O)(=O)Cl.
What is the InChIKey of 2,3-dimethylbutane-1-sulfonyl chloride?
The InChIKey is MIOSINMTJQXFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2S/c1-5(2)6(3)4-10(7,8)9/h5-6H,4H2,1-3H3.
What are the key properties of 2,3-dimethylbutane-1-sulfonyl chloride?
2,3-dimethylbutane-1-sulfonyl chloride has a molecular weight of 184.69 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-1-sulfonyl chloride is sourced from PubChem (CID 24975118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).