3-ethylpentane-1-sulfonyl chloride

C7H15ClO2S — CID 116684874

IUPAC3-ethylpentane-1-sulfonyl chloride
SMILESCCC(CC)CCS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-3-7(4-2)5-6-11(8,9)10/h7H,3-6H2,1-2H3
InChIKeyRLNNQLAAHXWWHW-UHFFFAOYSA-N
MW198.71 g/mol
LogP2.38
Rot. Bonds5

About 3-ethylpentane-1-sulfonyl chloride

3-ethylpentane-1-sulfonyl chloride (PubChem CID 116684874) has the molecular formula C7H15ClO2S and a molecular weight of 198.71 g/mol. Its IUPAC name is 3-ethylpentane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-ethylpentane-1-sulfonyl chloride
PubChem CID116684874
Molecular FormulaC7H15ClO2S
Molecular Weight198.71 g/mol
Exact Mass198.05
IUPAC Name3-ethylpentane-1-sulfonyl chloride
SMILESCCC(CC)CCS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-3-7(4-2)5-6-11(8,9)10/h7H,3-6H2,1-2H3
InChIKeyRLNNQLAAHXWWHW-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.71
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpentane-1-sulfonyl chloride?
The IUPAC name of 3-ethylpentane-1-sulfonyl chloride (CID 116684874) is 3-ethylpentane-1-sulfonyl chloride.
What is the SMILES notation for 3-ethylpentane-1-sulfonyl chloride?
The canonical SMILES for 3-ethylpentane-1-sulfonyl chloride is CCC(CC)CCS(=O)(=O)Cl.
What is the InChIKey of 3-ethylpentane-1-sulfonyl chloride?
The InChIKey is RLNNQLAAHXWWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2S/c1-3-7(4-2)5-6-11(8,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 3-ethylpentane-1-sulfonyl chloride?
3-ethylpentane-1-sulfonyl chloride has a molecular weight of 198.71 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentane-1-sulfonyl chloride is sourced from PubChem (CID 116684874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).