methyl 3-chlorosulfonyl-2-hydroxypropanoate

C4H7ClO5S — CID 130593524

IUPACmethyl 3-chlorosulfonyl-2-hydroxypropanoate
SMILESCOC(=O)C(O)CS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO5S/c1-10-4(7)3(6)2-11(5,8)9/h3,6H,2H2,1H3
InChIKeyVOQZIVMJPDUAHI-UHFFFAOYSA-N
MW202.61 g/mol
LogP-0.91
Rot. Bonds3

About methyl 3-chlorosulfonyl-2-hydroxypropanoate

methyl 3-chlorosulfonyl-2-hydroxypropanoate (PubChem CID 130593524) has the molecular formula C4H7ClO5S and a molecular weight of 202.61 g/mol. Its IUPAC name is methyl 3-chlorosulfonyl-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-chlorosulfonyl-2-hydroxypropanoate
PubChem CID130593524
Molecular FormulaC4H7ClO5S
Molecular Weight202.61 g/mol
Exact Mass201.97
IUPAC Namemethyl 3-chlorosulfonyl-2-hydroxypropanoate
SMILESCOC(=O)C(O)CS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO5S/c1-10-4(7)3(6)2-11(5,8)9/h3,6H,2H2,1H3
InChIKeyVOQZIVMJPDUAHI-UHFFFAOYSA-N
XLogP-0.91
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate
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methyl 2-hydroxypentanoate
CID 543619
methyl 2-hydroxy-3-(methylamino)propanoate
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methyl 5-chloro-2-hydroxypentanoate
CID 55302399
methyl (2S)-2-hydroxyheptanoate
CID 71444954
methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
CID 103946924
ethyl 2-amino-3-chlorosulfonylpropanoate
CID 174463001
methyl 4-bromo-2-hydroxybutanoate
CID 19019154
(2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium
CID 21121189
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547
methyl 2-chloro-3-(methanesulfonamido)propanoate
CID 103493482

Frequently Asked Questions

What is the IUPAC name of methyl 3-chlorosulfonyl-2-hydroxypropanoate?
The IUPAC name of methyl 3-chlorosulfonyl-2-hydroxypropanoate (CID 130593524) is methyl 3-chlorosulfonyl-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-chlorosulfonyl-2-hydroxypropanoate?
The canonical SMILES for methyl 3-chlorosulfonyl-2-hydroxypropanoate is COC(=O)C(O)CS(=O)(=O)Cl.
What is the InChIKey of methyl 3-chlorosulfonyl-2-hydroxypropanoate?
The InChIKey is VOQZIVMJPDUAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO5S/c1-10-4(7)3(6)2-11(5,8)9/h3,6H,2H2,1H3.
What are the key properties of methyl 3-chlorosulfonyl-2-hydroxypropanoate?
methyl 3-chlorosulfonyl-2-hydroxypropanoate has a molecular weight of 202.61 g/mol, XLogP of -0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chlorosulfonyl-2-hydroxypropanoate is sourced from PubChem (CID 130593524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).