4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid

C10H11ClO5S — CID 90912527

IUPAC4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid
SMILESO=C(O)CCCc1cc(S(=O)(=O)Cl)ccc1O
InChIInChI=1S/C10H11ClO5S/c11-17(15,16)8-4-5-9(12)7(6-8)2-1-3-10(13)14/h4-6,12H,1-3H2,(H,13,14)
InChIKeyAYEGBRDMURXGOI-UHFFFAOYSA-N
MW278.71 g/mol
LogP1.73
Rot. Bonds5

About 4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid

4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid (PubChem CID 90912527) has the molecular formula C10H11ClO5S and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid
PubChem CID90912527
Molecular FormulaC10H11ClO5S
Molecular Weight278.71 g/mol
Exact Mass278.00
IUPAC Name4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid
SMILESO=C(O)CCCc1cc(S(=O)(=O)Cl)ccc1O
InChIInChI=1S/C10H11ClO5S/c11-17(15,16)8-4-5-9(12)7(6-8)2-1-3-10(13)14/h4-6,12H,1-3H2,(H,13,14)
InChIKeyAYEGBRDMURXGOI-UHFFFAOYSA-N
XLogP1.73
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid?
The IUPAC name of 4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid (CID 90912527) is 4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid?
The canonical SMILES for 4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid is O=C(O)CCCc1cc(S(=O)(=O)Cl)ccc1O.
What is the InChIKey of 4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid?
The InChIKey is AYEGBRDMURXGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5S/c11-17(15,16)8-4-5-9(12)7(6-8)2-1-3-10(13)14/h4-6,12H,1-3H2,(H,13,14).
What are the key properties of 4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid?
4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid has a molecular weight of 278.71 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 90912527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).