pentane-2-sulfonyl chloride

C5H11ClO2S — CID 2760314

IUPACpentane-2-sulfonyl chloride
SMILESCCCC(C)S(=O)(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-3-4-5(2)9(6,7)8/h5H,3-4H2,1-2H3
InChIKeySWDKDEZOYSRUBC-UHFFFAOYSA-N
MW170.66 g/mol
LogP1.74
Rot. Bonds3

About pentane-2-sulfonyl chloride

pentane-2-sulfonyl chloride (PubChem CID 2760314) has the molecular formula C5H11ClO2S and a molecular weight of 170.66 g/mol. Its IUPAC name is pentane-2-sulfonyl chloride.

Molecular Properties

Compound Namepentane-2-sulfonyl chloride
PubChem CID2760314
Molecular FormulaC5H11ClO2S
Molecular Weight170.66 g/mol
Exact Mass170.02
IUPAC Namepentane-2-sulfonyl chloride
SMILESCCCC(C)S(=O)(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-3-4-5(2)9(6,7)8/h5H,3-4H2,1-2H3
InChIKeySWDKDEZOYSRUBC-UHFFFAOYSA-N
XLogP1.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentane-2-sulfonyl chloride?
The IUPAC name of pentane-2-sulfonyl chloride (CID 2760314) is pentane-2-sulfonyl chloride.
What is the SMILES notation for pentane-2-sulfonyl chloride?
The canonical SMILES for pentane-2-sulfonyl chloride is CCCC(C)S(=O)(=O)Cl.
What is the InChIKey of pentane-2-sulfonyl chloride?
The InChIKey is SWDKDEZOYSRUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2S/c1-3-4-5(2)9(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of pentane-2-sulfonyl chloride?
pentane-2-sulfonyl chloride has a molecular weight of 170.66 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-2-sulfonyl chloride is sourced from PubChem (CID 2760314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).