cyclopenta-1,3-diene-1-sulfonyl chloride

C5H5ClO2S — CID 12022998

IUPACcyclopenta-1,3-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=CC=CC1
InChIInChI=1S/C5H5ClO2S/c6-9(7,8)5-3-1-2-4-5/h1-3H,4H2
InChIKeySKCRKVAJYRELCD-UHFFFAOYSA-N
MW164.61 g/mol
LogP1.40
Rot. Bonds1

About cyclopenta-1,3-diene-1-sulfonyl chloride

cyclopenta-1,3-diene-1-sulfonyl chloride (PubChem CID 12022998) has the molecular formula C5H5ClO2S and a molecular weight of 164.61 g/mol. Its IUPAC name is cyclopenta-1,3-diene-1-sulfonyl chloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene-1-sulfonyl chloride
PubChem CID12022998
Molecular FormulaC5H5ClO2S
Molecular Weight164.61 g/mol
Exact Mass163.97
IUPAC Namecyclopenta-1,3-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=CC=CC1
InChIInChI=1S/C5H5ClO2S/c6-9(7,8)5-3-1-2-4-5/h1-3H,4H2
InChIKeySKCRKVAJYRELCD-UHFFFAOYSA-N
XLogP1.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.61
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexa-1,3-diene-1-sulfonyl chloride
CID 23194369
1-Fluorocyclohexa-2,4-diene-1-sulfonyl chloride
CID 153873601
(4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride
CID 163511445
2-Fluorocyclohexa-1,5-diene-1-sulfonyl chloride
CID 166858897
Sodium chloro(4-sulfonatophenyl)mercury
CID 101656912
Cyclopenta-1,3-diene-1-sulfonic acid
CID 244171
Cyclopenta-2,4-diene-1-sulfonic acid
CID 11986947
Cyclopenta-1,3-diene-1-sulfonamide
CID 12936333
Cyclohexa-1,3-diene-1-sulfinate
CID 20508835
Cyclohexa-1,5-diene-1-sulfinate
CID 21422989
6-Sulfanylidenecyclohexa-1,3-diene-1-sulfonyl chloride
CID 22075479
Sodium cyclohexa-1,5-diene-1-sulfonate
CID 23714006

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene-1-sulfonyl chloride?
The IUPAC name of cyclopenta-1,3-diene-1-sulfonyl chloride (CID 12022998) is cyclopenta-1,3-diene-1-sulfonyl chloride.
What is the SMILES notation for cyclopenta-1,3-diene-1-sulfonyl chloride?
The canonical SMILES for cyclopenta-1,3-diene-1-sulfonyl chloride is O=S(=O)(Cl)C1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-diene-1-sulfonyl chloride?
The InChIKey is SKCRKVAJYRELCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO2S/c6-9(7,8)5-3-1-2-4-5/h1-3H,4H2.
What are the key properties of cyclopenta-1,3-diene-1-sulfonyl chloride?
cyclopenta-1,3-diene-1-sulfonyl chloride has a molecular weight of 164.61 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene-1-sulfonyl chloride is sourced from PubChem (CID 12022998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).