2-cyclopropylethanesulfonyl chloride

C5H9ClO2S — CID 55279594

IUPAC2-cyclopropylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1CC1
InChIInChI=1S/C5H9ClO2S/c6-9(7,8)4-3-5-1-2-5/h5H,1-4H2
InChIKeyQJVYBAAMABSOKJ-UHFFFAOYSA-N
MW168.64 g/mol
LogP1.36
Rot. Bonds3

About 2-cyclopropylethanesulfonyl chloride

2-cyclopropylethanesulfonyl chloride (PubChem CID 55279594) has the molecular formula C5H9ClO2S and a molecular weight of 168.64 g/mol. Its IUPAC name is 2-cyclopropylethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyclopropylethanesulfonyl chloride
PubChem CID55279594
Molecular FormulaC5H9ClO2S
Molecular Weight168.64 g/mol
Exact Mass168.00
IUPAC Name2-cyclopropylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1CC1
InChIInChI=1S/C5H9ClO2S/c6-9(7,8)4-3-5-1-2-5/h5H,1-4H2
InChIKeyQJVYBAAMABSOKJ-UHFFFAOYSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.64
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylbutane-1-sulfonyl chloride
CID 12933327
Cyclopropylmethanesulphonyl chloride
CID 14106996
4-Methylpentane-1-sulfonyl chloride
CID 20532481
2-Methylbutane-1-sulfonyl chloride
CID 20532502
3-Methylbutane-2-sulfonyl chloride
CID 21354490
4-Methylpentane-2-sulfonyl chloride
CID 54347504
2-Ethylcyclopropane-1-sulfonyl chloride
CID 55212029
(1-Methylcyclopropyl)methanesulfonyl chloride
CID 55262941
Cyclobutylmethanesulfonyl chloride
CID 55280140
1-Ethylcyclopropane-1-sulfonyl chloride
CID 58557762
2-Cyclopropylethane-1-sulfonamide
CID 65599842
2,2-Dimethylcyclopropane-1-sulfonyl chloride
CID 137944046

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethanesulfonyl chloride?
The IUPAC name of 2-cyclopropylethanesulfonyl chloride (CID 55279594) is 2-cyclopropylethanesulfonyl chloride.
What is the SMILES notation for 2-cyclopropylethanesulfonyl chloride?
The canonical SMILES for 2-cyclopropylethanesulfonyl chloride is O=S(=O)(Cl)CCC1CC1.
What is the InChIKey of 2-cyclopropylethanesulfonyl chloride?
The InChIKey is QJVYBAAMABSOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2S/c6-9(7,8)4-3-5-1-2-5/h5H,1-4H2.
What are the key properties of 2-cyclopropylethanesulfonyl chloride?
2-cyclopropylethanesulfonyl chloride has a molecular weight of 168.64 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethanesulfonyl chloride is sourced from PubChem (CID 55279594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).