1-ethylcyclopropane-1-sulfonyl chloride

C5H9ClO2S — CID 58557762

IUPAC1-ethylcyclopropane-1-sulfonyl chloride
SMILESCCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C5H9ClO2S/c1-2-5(3-4-5)9(6,7)8/h2-4H2,1H3
InChIKeyQNGQHQVBGKAXOY-UHFFFAOYSA-N
MW168.64 g/mol
LogP1.50
Rot. Bonds2

About 1-ethylcyclopropane-1-sulfonyl chloride

1-ethylcyclopropane-1-sulfonyl chloride (PubChem CID 58557762) has the molecular formula C5H9ClO2S and a molecular weight of 168.64 g/mol. Its IUPAC name is 1-ethylcyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-ethylcyclopropane-1-sulfonyl chloride
PubChem CID58557762
Molecular FormulaC5H9ClO2S
Molecular Weight168.64 g/mol
Exact Mass168.00
IUPAC Name1-ethylcyclopropane-1-sulfonyl chloride
SMILESCCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C5H9ClO2S/c1-2-5(3-4-5)9(6,7)8/h2-4H2,1H3
InChIKeyQNGQHQVBGKAXOY-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethylcyclopropane-1-sulfonyl chloride
CID 55212029
(1-Methylcyclopropyl)methanesulfonyl chloride
CID 55262941
1-Methylcyclopropane-1-sulfonyl chloride
CID 55279326
2-Cyclopropylethane-1-sulfonyl chloride
CID 55279594
1-Methylcyclobutane-1-sulfonyl chloride
CID 131496920
2,2-Dimethylcyclopropane-1-sulfonyl chloride
CID 137944046
1-(Propan-2-yl)cyclopropane-1-sulfonyl chloride
CID 119057073
1-Ethylcyclopropane-1-sulfonyl fluoride
CID 162341527
1-(2-Fluoroethyl)cyclopropane-1-sulfonyl chloride
CID 165490517
1-(2-Fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
CID 165495108
rac-(1R,2R)-1,2-dimethylcyclopropane-1-sulfonyl fluoride
CID 165997884
2-Methylbutane-2-sulfonyl chloride
CID 18347800

Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-ethylcyclopropane-1-sulfonyl chloride (CID 58557762) is 1-ethylcyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-ethylcyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-ethylcyclopropane-1-sulfonyl chloride is CCC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-ethylcyclopropane-1-sulfonyl chloride?
The InChIKey is QNGQHQVBGKAXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2S/c1-2-5(3-4-5)9(6,7)8/h2-4H2,1H3.
What are the key properties of 1-ethylcyclopropane-1-sulfonyl chloride?
1-ethylcyclopropane-1-sulfonyl chloride has a molecular weight of 168.64 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 58557762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).