2-ethylcyclopropane-1-sulfonyl chloride

C5H9ClO2S — CID 55212029

IUPAC2-ethylcyclopropane-1-sulfonyl chloride
SMILESCCC1CC1S(=O)(=O)Cl
InChIInChI=1S/C5H9ClO2S/c1-2-4-3-5(4)9(6,7)8/h4-5H,2-3H2,1H3
InChIKeyPUQMHQZRKLEKOC-UHFFFAOYSA-N
MW168.64 g/mol
LogP1.35
Rot. Bonds2

About 2-ethylcyclopropane-1-sulfonyl chloride

2-ethylcyclopropane-1-sulfonyl chloride (PubChem CID 55212029) has the molecular formula C5H9ClO2S and a molecular weight of 168.64 g/mol. Its IUPAC name is 2-ethylcyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-ethylcyclopropane-1-sulfonyl chloride
PubChem CID55212029
Molecular FormulaC5H9ClO2S
Molecular Weight168.64 g/mol
Exact Mass168.00
IUPAC Name2-ethylcyclopropane-1-sulfonyl chloride
SMILESCCC1CC1S(=O)(=O)Cl
InChIInChI=1S/C5H9ClO2S/c1-2-4-3-5(4)9(6,7)8/h4-5H,2-3H2,1H3
InChIKeyPUQMHQZRKLEKOC-UHFFFAOYSA-N
XLogP1.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.64
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propanesulfonyl chloride, 2-methyl-
CID 182236
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
2,3-Dimethylbutane-1-sulfonyl chloride
CID 24975118
4-Methylpentane-2-sulfonyl chloride
CID 54347504
(1-Methylcyclopropyl)methanesulfonyl chloride
CID 55262941
2-Cyclopropylethane-1-sulfonyl chloride
CID 55279594
1-Ethylcyclopropane-1-sulfonyl chloride
CID 58557762
3-Methylcyclobutane-1-sulfonyl chloride
CID 103564836

Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclopropane-1-sulfonyl chloride?
The IUPAC name of 2-ethylcyclopropane-1-sulfonyl chloride (CID 55212029) is 2-ethylcyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 2-ethylcyclopropane-1-sulfonyl chloride?
The canonical SMILES for 2-ethylcyclopropane-1-sulfonyl chloride is CCC1CC1S(=O)(=O)Cl.
What is the InChIKey of 2-ethylcyclopropane-1-sulfonyl chloride?
The InChIKey is PUQMHQZRKLEKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2S/c1-2-4-3-5(4)9(6,7)8/h4-5H,2-3H2,1H3.
What are the key properties of 2-ethylcyclopropane-1-sulfonyl chloride?
2-ethylcyclopropane-1-sulfonyl chloride has a molecular weight of 168.64 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 55212029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).