1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid

C10H9ClO4S — CID 801723

IUPAC1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C10H9ClO4S/c11-7-1-3-8(4-2-7)16(14,15)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKeyGAABDRSLTXUNQW-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.73
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid

1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid (PubChem CID 801723) has the molecular formula C10H9ClO4S and a molecular weight of 260.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid
PubChem CID801723
Molecular FormulaC10H9ClO4S
Molecular Weight260.70 g/mol
Exact Mass259.99
IUPAC Name1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C10H9ClO4S/c11-7-1-3-8(4-2-7)16(14,15)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKeyGAABDRSLTXUNQW-UHFFFAOYSA-N
XLogP1.73
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid (CID 801723) is 1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid is O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid?
The InChIKey is GAABDRSLTXUNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4S/c11-7-1-3-8(4-2-7)16(14,15)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13).
What are the key properties of 1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid?
1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid has a molecular weight of 260.70 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 801723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).