propan-2-yl 3-chlorosulfonylpropanoate

C6H11ClO4S — CID 21395637

IUPACpropan-2-yl 3-chlorosulfonylpropanoate
SMILESCC(C)OC(=O)CCS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO4S/c1-5(2)11-6(8)3-4-12(7,9)10/h5H,3-4H2,1-2H3
InChIKeyZGZNYPABQVVYGD-UHFFFAOYSA-N
MW214.67 g/mol
LogP0.90
Rot. Bonds4

About propan-2-yl 3-chlorosulfonylpropanoate

propan-2-yl 3-chlorosulfonylpropanoate (PubChem CID 21395637) has the molecular formula C6H11ClO4S and a molecular weight of 214.67 g/mol. Its IUPAC name is propan-2-yl 3-chlorosulfonylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-chlorosulfonylpropanoate
PubChem CID21395637
Molecular FormulaC6H11ClO4S
Molecular Weight214.67 g/mol
Exact Mass214.01
IUPAC Namepropan-2-yl 3-chlorosulfonylpropanoate
SMILESCC(C)OC(=O)CCS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO4S/c1-5(2)11-6(8)3-4-12(7,9)10/h5H,3-4H2,1-2H3
InChIKeyZGZNYPABQVVYGD-UHFFFAOYSA-N
XLogP0.90
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-3-propan-2-yloxypropane-1-sulfonate
CID 156663671
propan-2-yl 4-chloro-4-oxobutanoate
CID 15209176
propan-2-yl 3-morpholin-4-ylsulfonylpropanoate
CID 112724899
propan-2-yl 4-chlorobutanoate
CID 527700
(Z)-18-oxo-18-propan-2-yloxyoctadec-9-ene-1-sulfonic acid
CID 118014624
dipropan-2-yl 4-hydroxyheptanedioate
CID 14639378
bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide
CID 173205238
propan-2-yl 5-chlorohexanoate
CID 23047200
propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
propan-2-yl 4-sulfanylbutanoate
CID 57187047
(3-chlorosulfonyl-1-tetradecanoyloxypropyl) tetradecanoate
CID 134929038
10-oxo-10-propan-2-yloxydecanoic acid
CID 10131064

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-chlorosulfonylpropanoate?
The IUPAC name of propan-2-yl 3-chlorosulfonylpropanoate (CID 21395637) is propan-2-yl 3-chlorosulfonylpropanoate.
What is the SMILES notation for propan-2-yl 3-chlorosulfonylpropanoate?
The canonical SMILES for propan-2-yl 3-chlorosulfonylpropanoate is CC(C)OC(=O)CCS(=O)(=O)Cl.
What is the InChIKey of propan-2-yl 3-chlorosulfonylpropanoate?
The InChIKey is ZGZNYPABQVVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO4S/c1-5(2)11-6(8)3-4-12(7,9)10/h5H,3-4H2,1-2H3.
What are the key properties of propan-2-yl 3-chlorosulfonylpropanoate?
propan-2-yl 3-chlorosulfonylpropanoate has a molecular weight of 214.67 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-chlorosulfonylpropanoate is sourced from PubChem (CID 21395637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).