heptane-4-sulfonyl chloride

C7H15ClO2S — CID 62084556

IUPACheptane-4-sulfonyl chloride
SMILESCCCC(CCC)S(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-3-5-7(6-4-2)11(8,9)10/h7H,3-6H2,1-2H3
InChIKeyOWMJFQIHJFOWPP-UHFFFAOYSA-N
MW198.71 g/mol
LogP2.52
Rot. Bonds5

About heptane-4-sulfonyl chloride

heptane-4-sulfonyl chloride (PubChem CID 62084556) has the molecular formula C7H15ClO2S and a molecular weight of 198.71 g/mol. Its IUPAC name is heptane-4-sulfonyl chloride.

Molecular Properties

Compound Nameheptane-4-sulfonyl chloride
PubChem CID62084556
Molecular FormulaC7H15ClO2S
Molecular Weight198.71 g/mol
Exact Mass198.05
IUPAC Nameheptane-4-sulfonyl chloride
SMILESCCCC(CCC)S(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-3-5-7(6-4-2)11(8,9)10/h7H,3-6H2,1-2H3
InChIKeyOWMJFQIHJFOWPP-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of heptane-4-sulfonyl chloride?
The IUPAC name of heptane-4-sulfonyl chloride (CID 62084556) is heptane-4-sulfonyl chloride.
What is the SMILES notation for heptane-4-sulfonyl chloride?
The canonical SMILES for heptane-4-sulfonyl chloride is CCCC(CCC)S(=O)(=O)Cl.
What is the InChIKey of heptane-4-sulfonyl chloride?
The InChIKey is OWMJFQIHJFOWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2S/c1-3-5-7(6-4-2)11(8,9)10/h7H,3-6H2,1-2H3.
What are the key properties of heptane-4-sulfonyl chloride?
heptane-4-sulfonyl chloride has a molecular weight of 198.71 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-4-sulfonyl chloride is sourced from PubChem (CID 62084556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).