bicyclo[3.1.0]hexane-3-sulfonyl chloride

C6H9ClO2S — CID 131288995

IUPACbicyclo[3.1.0]hexane-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC2CC2C1
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)6-2-4-1-5(4)3-6/h4-6H,1-3H2
InChIKeyZVPGNDDYIIMLSI-UHFFFAOYSA-N
MW180.66 g/mol
LogP1.35
Rot. Bonds1

About bicyclo[3.1.0]hexane-3-sulfonyl chloride

bicyclo[3.1.0]hexane-3-sulfonyl chloride (PubChem CID 131288995) has the molecular formula C6H9ClO2S and a molecular weight of 180.66 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane-3-sulfonyl chloride.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane-3-sulfonyl chloride
PubChem CID131288995
Molecular FormulaC6H9ClO2S
Molecular Weight180.66 g/mol
Exact Mass180.00
IUPAC Namebicyclo[3.1.0]hexane-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC2CC2C1
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)6-2-4-1-5(4)3-6/h4-6H,1-3H2
InChIKeyZVPGNDDYIIMLSI-UHFFFAOYSA-N
XLogP1.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride
CID 55279558
bicyclo[3.1.0]hexane-3-sulfonyl fluoride
CID 165452681
3-(cyclopropylmethyl)cyclobutane-1-sulfonyl chloride
CID 139026627
3-oxocyclobutane-1-sulfonyl chloride
CID 131558939
3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride
CID 122365585
bicyclo[3.2.1]octane-2-sulfonyl chloride
CID 165456077
5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride
CID 155858380
2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride
CID 155821305
6,6-dimethylcycloundecane-1-sulfonyl chloride
CID 146618987
spiro[2.5]octane-7-sulfonyl chloride
CID 165446788
cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride
CID 98092799
5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
CID 168711154

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexane-3-sulfonyl chloride?
The IUPAC name of bicyclo[3.1.0]hexane-3-sulfonyl chloride (CID 131288995) is bicyclo[3.1.0]hexane-3-sulfonyl chloride.
What is the SMILES notation for bicyclo[3.1.0]hexane-3-sulfonyl chloride?
The canonical SMILES for bicyclo[3.1.0]hexane-3-sulfonyl chloride is O=S(=O)(Cl)C1CC2CC2C1.
What is the InChIKey of bicyclo[3.1.0]hexane-3-sulfonyl chloride?
The InChIKey is ZVPGNDDYIIMLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2S/c7-10(8,9)6-2-4-1-5(4)3-6/h4-6H,1-3H2.
What are the key properties of bicyclo[3.1.0]hexane-3-sulfonyl chloride?
bicyclo[3.1.0]hexane-3-sulfonyl chloride has a molecular weight of 180.66 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexane-3-sulfonyl chloride is sourced from PubChem (CID 131288995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).