pent-4-ene-2-sulfonyl chloride

C5H9ClO2S — CID 165486149

IUPACpent-4-ene-2-sulfonyl chloride
SMILESC=CCC(C)S(=O)(=O)Cl
InChIInChI=1S/C5H9ClO2S/c1-3-4-5(2)9(6,7)8/h3,5H,1,4H2,2H3
InChIKeyUGBGUCPUNXPMDI-UHFFFAOYSA-N
MW168.64 g/mol
LogP1.52
Rot. Bonds3

About pent-4-ene-2-sulfonyl chloride

pent-4-ene-2-sulfonyl chloride (PubChem CID 165486149) has the molecular formula C5H9ClO2S and a molecular weight of 168.64 g/mol. Its IUPAC name is pent-4-ene-2-sulfonyl chloride.

Molecular Properties

Compound Namepent-4-ene-2-sulfonyl chloride
PubChem CID165486149
Molecular FormulaC5H9ClO2S
Molecular Weight168.64 g/mol
Exact Mass168.00
IUPAC Namepent-4-ene-2-sulfonyl chloride
SMILESC=CCC(C)S(=O)(=O)Cl
InChIInChI=1S/C5H9ClO2S/c1-3-4-5(2)9(6,7)8/h3,5H,1,4H2,2H3
InChIKeyUGBGUCPUNXPMDI-UHFFFAOYSA-N
XLogP1.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.64
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
2-methylhex-5-ene-3-sulfonamide
CID 130367234
(2R)-2-propan-2-ylpent-4-enal
CID 44521428
potassium pent-4-en-2-olate
CID 143030421
3-prop-2-enylhex-5-en-2-amine;sulfur dioxide;sulfuric acid
CID 175053708
4-iodopent-1-ene
CID 13244562
4-propan-2-ylhepta-1,6-diene
CID 14140894
(4S)-4-iodopent-1-ene
CID 88562936
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
CID 130367158
methyl pent-4-en-2-yl sulfate
CID 174246780
(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
CID 118903407

Frequently Asked Questions

What is the IUPAC name of pent-4-ene-2-sulfonyl chloride?
The IUPAC name of pent-4-ene-2-sulfonyl chloride (CID 165486149) is pent-4-ene-2-sulfonyl chloride.
What is the SMILES notation for pent-4-ene-2-sulfonyl chloride?
The canonical SMILES for pent-4-ene-2-sulfonyl chloride is C=CCC(C)S(=O)(=O)Cl.
What is the InChIKey of pent-4-ene-2-sulfonyl chloride?
The InChIKey is UGBGUCPUNXPMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2S/c1-3-4-5(2)9(6,7)8/h3,5H,1,4H2,2H3.
What are the key properties of pent-4-ene-2-sulfonyl chloride?
pent-4-ene-2-sulfonyl chloride has a molecular weight of 168.64 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ene-2-sulfonyl chloride is sourced from PubChem (CID 165486149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).