chloroethane;prop-2-ene-1-sulfonyl chloride

C5H10Cl2O2S — CID 174586932

IUPACchloroethane;prop-2-ene-1-sulfonyl chloride
SMILESC=CCS(=O)(=O)Cl.CCCl
InChIInChI=1S/C3H5ClO2S.C2H5Cl/c1-2-3-7(4,5)6;1-2-3/h2H,1,3H2;2H2,1H3
InChIKeyGFDYLLHJOHXRKN-UHFFFAOYSA-N
MW205.11 g/mol
LogP1.99
Rot. Bonds2

About chloroethane;prop-2-ene-1-sulfonyl chloride

chloroethane;prop-2-ene-1-sulfonyl chloride (PubChem CID 174586932) has the molecular formula C5H10Cl2O2S and a molecular weight of 205.11 g/mol. Its IUPAC name is chloroethane;prop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Namechloroethane;prop-2-ene-1-sulfonyl chloride
PubChem CID174586932
Molecular FormulaC5H10Cl2O2S
Molecular Weight205.11 g/mol
Exact Mass203.98
IUPAC Namechloroethane;prop-2-ene-1-sulfonyl chloride
SMILESC=CCS(=O)(=O)Cl.CCCl
InChIInChI=1S/C3H5ClO2S.C2H5Cl/c1-2-3-7(4,5)6;1-2-3/h2H,1,3H2;2H2,1H3
InChIKeyGFDYLLHJOHXRKN-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroethane;prop-2-ene-1-sulfonyl chloride?
The IUPAC name of chloroethane;prop-2-ene-1-sulfonyl chloride (CID 174586932) is chloroethane;prop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for chloroethane;prop-2-ene-1-sulfonyl chloride?
The canonical SMILES for chloroethane;prop-2-ene-1-sulfonyl chloride is C=CCS(=O)(=O)Cl.CCCl.
What is the InChIKey of chloroethane;prop-2-ene-1-sulfonyl chloride?
The InChIKey is GFDYLLHJOHXRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO2S.C2H5Cl/c1-2-3-7(4,5)6;1-2-3/h2H,1,3H2;2H2,1H3.
What are the key properties of chloroethane;prop-2-ene-1-sulfonyl chloride?
chloroethane;prop-2-ene-1-sulfonyl chloride has a molecular weight of 205.11 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;prop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 174586932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).