2-chlorosulfonylpentanoic acid

C5H9ClO4S — CID 23461309

IUPAC2-chlorosulfonylpentanoic acid
SMILESCCCC(C(=O)O)S(=O)(=O)Cl
InChIInChI=1S/C5H9ClO4S/c1-2-3-4(5(7)8)11(6,9)10/h4H,2-3H2,1H3,(H,7,8)
InChIKeyGOKBRRCWWRNQSO-UHFFFAOYSA-N
MW200.64 g/mol
LogP0.81
Rot. Bonds4

About 2-chlorosulfonylpentanoic acid

2-chlorosulfonylpentanoic acid (PubChem CID 23461309) has the molecular formula C5H9ClO4S and a molecular weight of 200.64 g/mol. Its IUPAC name is 2-chlorosulfonylpentanoic acid.

Molecular Properties

Compound Name2-chlorosulfonylpentanoic acid
PubChem CID23461309
Molecular FormulaC5H9ClO4S
Molecular Weight200.64 g/mol
Exact Mass199.99
IUPAC Name2-chlorosulfonylpentanoic acid
SMILESCCCC(C(=O)O)S(=O)(=O)Cl
InChIInChI=1S/C5H9ClO4S/c1-2-3-4(5(7)8)11(6,9)10/h4H,2-3H2,1H3,(H,7,8)
InChIKeyGOKBRRCWWRNQSO-UHFFFAOYSA-N
XLogP0.81
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Sulfopentanoic acid
CID 15986686
4-Sulfobutanoic acid
CID 21206169
2-Sulfamoylpentanoic acid
CID 21241989
Methyl 5-(chlorosulfonyl)pentanoate
CID 71432826
Methyl 4-(chlorosulfonyl)pentanoate
CID 124124428
Butansaure Sulfonsaure
CID 423755
Sulfovaleric acid
CID 21639765
Sulfonyl pentanoic acid
CID 22466834
3-Sulfinobutanoic acid
CID 11971087
5-Fluoro-5-sulfopentanoic acid
CID 87588853
6-((Methylsulfonyl)thio)hexanoic acid
CID 19842162
3-Sulfobutanoic acid
CID 316238

Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfonylpentanoic acid?
The IUPAC name of 2-chlorosulfonylpentanoic acid (CID 23461309) is 2-chlorosulfonylpentanoic acid.
What is the SMILES notation for 2-chlorosulfonylpentanoic acid?
The canonical SMILES for 2-chlorosulfonylpentanoic acid is CCCC(C(=O)O)S(=O)(=O)Cl.
What is the InChIKey of 2-chlorosulfonylpentanoic acid?
The InChIKey is GOKBRRCWWRNQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO4S/c1-2-3-4(5(7)8)11(6,9)10/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-chlorosulfonylpentanoic acid?
2-chlorosulfonylpentanoic acid has a molecular weight of 200.64 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonylpentanoic acid is sourced from PubChem (CID 23461309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).