(4R)-5-chlorosulfonyl-4-methylpentanoic acid

C6H11ClO4S — CID 122479913

IUPAC(4R)-5-chlorosulfonyl-4-methylpentanoic acid
SMILESC[C@H](CCC(=O)O)CS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO4S/c1-5(2-3-6(8)9)4-12(7,10)11/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyNWSUQYVHVKQHKZ-RXMQYKEDSA-N
MW214.67 g/mol
LogP1.06
Rot. Bonds5

About (4R)-5-chlorosulfonyl-4-methylpentanoic acid

(4R)-5-chlorosulfonyl-4-methylpentanoic acid (PubChem CID 122479913) has the molecular formula C6H11ClO4S and a molecular weight of 214.67 g/mol. Its IUPAC name is (4R)-5-chlorosulfonyl-4-methylpentanoic acid.

Molecular Properties

Compound Name(4R)-5-chlorosulfonyl-4-methylpentanoic acid
PubChem CID122479913
Molecular FormulaC6H11ClO4S
Molecular Weight214.67 g/mol
Exact Mass214.01
IUPAC Name(4R)-5-chlorosulfonyl-4-methylpentanoic acid
SMILESC[C@H](CCC(=O)O)CS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO4S/c1-5(2-3-6(8)9)4-12(7,10)11/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyNWSUQYVHVKQHKZ-RXMQYKEDSA-N
XLogP1.06
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-chlorosulfonyl-4-methylpentanoic acid?
The IUPAC name of (4R)-5-chlorosulfonyl-4-methylpentanoic acid (CID 122479913) is (4R)-5-chlorosulfonyl-4-methylpentanoic acid.
What is the SMILES notation for (4R)-5-chlorosulfonyl-4-methylpentanoic acid?
The canonical SMILES for (4R)-5-chlorosulfonyl-4-methylpentanoic acid is C[C@H](CCC(=O)O)CS(=O)(=O)Cl.
What is the InChIKey of (4R)-5-chlorosulfonyl-4-methylpentanoic acid?
The InChIKey is NWSUQYVHVKQHKZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11ClO4S/c1-5(2-3-6(8)9)4-12(7,10)11/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (4R)-5-chlorosulfonyl-4-methylpentanoic acid?
(4R)-5-chlorosulfonyl-4-methylpentanoic acid has a molecular weight of 214.67 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-chlorosulfonyl-4-methylpentanoic acid is sourced from PubChem (CID 122479913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).