2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene

C6H8Cl2O2S — CID 88669898

IUPAC2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene
SMILESC=C(Cl)CS(=O)(=O)CC(=C)Cl
InChIInChI=1S/C6H8Cl2O2S/c1-5(7)3-11(9,10)4-6(2)8/h1-4H2
InChIKeyAUSHSWORTPOAKB-UHFFFAOYSA-N
MW215.10 g/mol
LogP1.91
Rot. Bonds4

About 2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene

2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene (PubChem CID 88669898) has the molecular formula C6H8Cl2O2S and a molecular weight of 215.10 g/mol. Its IUPAC name is 2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene
PubChem CID88669898
Molecular FormulaC6H8Cl2O2S
Molecular Weight215.10 g/mol
Exact Mass213.96
IUPAC Name2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene
SMILESC=C(Cl)CS(=O)(=O)CC(=C)Cl
InChIInChI=1S/C6H8Cl2O2S/c1-5(7)3-11(9,10)4-6(2)8/h1-4H2
InChIKeyAUSHSWORTPOAKB-UHFFFAOYSA-N
XLogP1.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene?
The IUPAC name of 2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene (CID 88669898) is 2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene.
What is the SMILES notation for 2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene?
The canonical SMILES for 2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene is C=C(Cl)CS(=O)(=O)CC(=C)Cl.
What is the InChIKey of 2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene?
The InChIKey is AUSHSWORTPOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2O2S/c1-5(7)3-11(9,10)4-6(2)8/h1-4H2.
What are the key properties of 2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene?
2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene has a molecular weight of 215.10 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chloroprop-2-enylsulfonyl)prop-1-ene is sourced from PubChem (CID 88669898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).