1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride

C9H9Cl3O2S — CID 174457967

IUPAC1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride
SMILESC=CCS(=O)(=O)Cl.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C3H5ClO2S/c7-5-3-1-2-4-6(5)8;1-2-3-7(4,5)6/h1-4H;2H,1,3H2
InChIKeyGWYBOAAHZRRMLE-UHFFFAOYSA-N
MW287.60 g/mol
LogP3.73
Rot. Bonds2

About 1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride

1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride (PubChem CID 174457967) has the molecular formula C9H9Cl3O2S and a molecular weight of 287.60 g/mol. Its IUPAC name is 1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride
PubChem CID174457967
Molecular FormulaC9H9Cl3O2S
Molecular Weight287.60 g/mol
Exact Mass285.94
IUPAC Name1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride
SMILESC=CCS(=O)(=O)Cl.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C3H5ClO2S/c7-5-3-1-2-4-6(5)8;1-2-3-7(4,5)6/h1-4H;2H,1,3H2
InChIKeyGWYBOAAHZRRMLE-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.60
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride?
The IUPAC name of 1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride (CID 174457967) is 1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for 1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride?
The canonical SMILES for 1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride is C=CCS(=O)(=O)Cl.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride?
The InChIKey is GWYBOAAHZRRMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C3H5ClO2S/c7-5-3-1-2-4-6(5)8;1-2-3-7(4,5)6/h1-4H;2H,1,3H2.
What are the key properties of 1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride?
1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride has a molecular weight of 287.60 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 174457967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).