2-methylpentane-2-sulfonyl chloride

C6H13ClO2S — CID 22935866

IUPAC2-methylpentane-2-sulfonyl chloride
SMILESCCCC(C)(C)S(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-4-5-6(2,3)10(7,8)9/h4-5H2,1-3H3
InChIKeyNWGNZDAUJSCUCL-UHFFFAOYSA-N
MW184.69 g/mol
LogP2.13
Rot. Bonds3

About 2-methylpentane-2-sulfonyl chloride

2-methylpentane-2-sulfonyl chloride (PubChem CID 22935866) has the molecular formula C6H13ClO2S and a molecular weight of 184.69 g/mol. Its IUPAC name is 2-methylpentane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-methylpentane-2-sulfonyl chloride
PubChem CID22935866
Molecular FormulaC6H13ClO2S
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name2-methylpentane-2-sulfonyl chloride
SMILESCCCC(C)(C)S(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-4-5-6(2,3)10(7,8)9/h4-5H2,1-3H3
InChIKeyNWGNZDAUJSCUCL-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentane-2-sulfonyl chloride?
The IUPAC name of 2-methylpentane-2-sulfonyl chloride (CID 22935866) is 2-methylpentane-2-sulfonyl chloride.
What is the SMILES notation for 2-methylpentane-2-sulfonyl chloride?
The canonical SMILES for 2-methylpentane-2-sulfonyl chloride is CCCC(C)(C)S(=O)(=O)Cl.
What is the InChIKey of 2-methylpentane-2-sulfonyl chloride?
The InChIKey is NWGNZDAUJSCUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2S/c1-4-5-6(2,3)10(7,8)9/h4-5H2,1-3H3.
What are the key properties of 2-methylpentane-2-sulfonyl chloride?
2-methylpentane-2-sulfonyl chloride has a molecular weight of 184.69 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane-2-sulfonyl chloride is sourced from PubChem (CID 22935866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).