hept-5-ene-1-sulfonyl chloride

C7H13ClO2S — CID 123578706

IUPAChept-5-ene-1-sulfonyl chloride
SMILESCC=CCCCCS(=O)(=O)Cl
InChIInChI=1S/C7H13ClO2S/c1-2-3-4-5-6-7-11(8,9)10/h2-3H,4-7H2,1H3
InChIKeyKEGFFUYTSSWSEI-UHFFFAOYSA-N
MW196.70 g/mol
LogP2.30
Rot. Bonds5

About hept-5-ene-1-sulfonyl chloride

hept-5-ene-1-sulfonyl chloride (PubChem CID 123578706) has the molecular formula C7H13ClO2S and a molecular weight of 196.70 g/mol. Its IUPAC name is hept-5-ene-1-sulfonyl chloride.

Molecular Properties

Compound Namehept-5-ene-1-sulfonyl chloride
PubChem CID123578706
Molecular FormulaC7H13ClO2S
Molecular Weight196.70 g/mol
Exact Mass196.03
IUPAC Namehept-5-ene-1-sulfonyl chloride
SMILESCC=CCCCCS(=O)(=O)Cl
InChIInChI=1S/C7H13ClO2S/c1-2-3-4-5-6-7-11(8,9)10/h2-3H,4-7H2,1H3
InChIKeyKEGFFUYTSSWSEI-UHFFFAOYSA-N
XLogP2.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hept-5-ene-1-sulfonyl chloride?
The IUPAC name of hept-5-ene-1-sulfonyl chloride (CID 123578706) is hept-5-ene-1-sulfonyl chloride.
What is the SMILES notation for hept-5-ene-1-sulfonyl chloride?
The canonical SMILES for hept-5-ene-1-sulfonyl chloride is CC=CCCCCS(=O)(=O)Cl.
What is the InChIKey of hept-5-ene-1-sulfonyl chloride?
The InChIKey is KEGFFUYTSSWSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2S/c1-2-3-4-5-6-7-11(8,9)10/h2-3H,4-7H2,1H3.
What are the key properties of hept-5-ene-1-sulfonyl chloride?
hept-5-ene-1-sulfonyl chloride has a molecular weight of 196.70 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-5-ene-1-sulfonyl chloride is sourced from PubChem (CID 123578706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).