cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride

C7H9ClO2S — CID 55279350

IUPACcyclohexa-2,4-dien-1-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1C=CC=CC1
InChIInChI=1S/C7H9ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-4,7H,5-6H2
InChIKeyYTFMBHWDGBZIOE-UHFFFAOYSA-N
MW192.67 g/mol
LogP1.69
Rot. Bonds2

About cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride

cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride (PubChem CID 55279350) has the molecular formula C7H9ClO2S and a molecular weight of 192.67 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ylmethanesulfonyl chloride
PubChem CID55279350
Molecular FormulaC7H9ClO2S
Molecular Weight192.67 g/mol
Exact Mass192.00
IUPAC Namecyclohexa-2,4-dien-1-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1C=CC=CC1
InChIInChI=1S/C7H9ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-4,7H,5-6H2
InChIKeyYTFMBHWDGBZIOE-UHFFFAOYSA-N
XLogP1.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride?
The IUPAC name of cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride (CID 55279350) is cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride.
What is the SMILES notation for cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride?
The canonical SMILES for cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride is O=S(=O)(Cl)CC1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride?
The InChIKey is YTFMBHWDGBZIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-4,7H,5-6H2.
What are the key properties of cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride?
cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride has a molecular weight of 192.67 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride is sourced from PubChem (CID 55279350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).