ethyl 2-chlorosulfonylpentanoate

C7H13ClO4S — CID 22492437

IUPACethyl 2-chlorosulfonylpentanoate
SMILESCCCC(C(=O)OCC)S(=O)(=O)Cl
InChIInChI=1S/C7H13ClO4S/c1-3-5-6(13(8,10)11)7(9)12-4-2/h6H,3-5H2,1-2H3
InChIKeyUULXWMAWSZFCGF-UHFFFAOYSA-N
MW228.70 g/mol
LogP1.29
Rot. Bonds5

About ethyl 2-chlorosulfonylpentanoate

ethyl 2-chlorosulfonylpentanoate (PubChem CID 22492437) has the molecular formula C7H13ClO4S and a molecular weight of 228.70 g/mol. Its IUPAC name is ethyl 2-chlorosulfonylpentanoate.

Molecular Properties

Compound Nameethyl 2-chlorosulfonylpentanoate
PubChem CID22492437
Molecular FormulaC7H13ClO4S
Molecular Weight228.70 g/mol
Exact Mass228.02
IUPAC Nameethyl 2-chlorosulfonylpentanoate
SMILESCCCC(C(=O)OCC)S(=O)(=O)Cl
InChIInChI=1S/C7H13ClO4S/c1-3-5-6(13(8,10)11)7(9)12-4-2/h6H,3-5H2,1-2H3
InChIKeyUULXWMAWSZFCGF-UHFFFAOYSA-N
XLogP1.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-(chlorosulfonyl)butanoate
CID 10608119
Ethyl 3-(chlorosulfonyl)propanoate
CID 4128467
3-(Chlorosulfonyl)propyl acetate
CID 10584211
Ethyl 5-(chlorosulfonyl)pentanoate
CID 20780459
Ethyl 4-(chlorosulfonyl)butanoate
CID 43142305
Methyl 6-(chlorosulfonyl)hexanoate
CID 54593920
Methyl 5-(chlorosulfonyl)pentanoate
CID 71432826
Methyl 4-(chlorosulfonyl)pentanoate
CID 124124428
Propyl 3-(chlorosulfonyl)propanoate
CID 43350782
Methyl 3-(chlorosulfonyl)butanoate
CID 43536539
Ethyl 2-[1-(chlorosulfonyl)cyclopropyl]acetate
CID 75480748
Ethyl (1R,2R)-2-(chlorosulfonylmethyl)cyclopropane-1-carboxylate
CID 132343827

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chlorosulfonylpentanoate?
The IUPAC name of ethyl 2-chlorosulfonylpentanoate (CID 22492437) is ethyl 2-chlorosulfonylpentanoate.
What is the SMILES notation for ethyl 2-chlorosulfonylpentanoate?
The canonical SMILES for ethyl 2-chlorosulfonylpentanoate is CCCC(C(=O)OCC)S(=O)(=O)Cl.
What is the InChIKey of ethyl 2-chlorosulfonylpentanoate?
The InChIKey is UULXWMAWSZFCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO4S/c1-3-5-6(13(8,10)11)7(9)12-4-2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 2-chlorosulfonylpentanoate?
ethyl 2-chlorosulfonylpentanoate has a molecular weight of 228.70 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chlorosulfonylpentanoate is sourced from PubChem (CID 22492437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).