2-(2-phenylcyclopropyl)sulfonylacetic acid

C11H12O4S — CID 116516571

IUPAC2-(2-phenylcyclopropyl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)C1CC1c1ccccc1
InChIInChI=1S/C11H12O4S/c12-11(13)7-16(14,15)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChIKeyQDXPCWXHPKPAQP-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.04
Rot. Bonds4

About 2-(2-phenylcyclopropyl)sulfonylacetic acid

2-(2-phenylcyclopropyl)sulfonylacetic acid (PubChem CID 116516571) has the molecular formula C11H12O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(2-phenylcyclopropyl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(2-phenylcyclopropyl)sulfonylacetic acid
PubChem CID116516571
Molecular FormulaC11H12O4S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name2-(2-phenylcyclopropyl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)C1CC1c1ccccc1
InChIInChI=1S/C11H12O4S/c12-11(13)7-16(14,15)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChIKeyQDXPCWXHPKPAQP-UHFFFAOYSA-N
XLogP1.04
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylsulfonylcyclopropyl)benzene
CID 89149052
trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide
CID 68572736
3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
CID 166331895
[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium
CID 11728948
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
4-[[methyl-(2-phenylcyclopropyl)sulfonylamino]methyl]benzoic acid
CID 166331965
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
trans-(1R,2S)-2-phenylcyclobutane-1-sulfonyl chloride
CID 155978186
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
3-methylsulfonyl-1-(2-phenylcyclopropyl)propan-1-one
CID 114969559
3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanenitrile
CID 86694682

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylcyclopropyl)sulfonylacetic acid?
The IUPAC name of 2-(2-phenylcyclopropyl)sulfonylacetic acid (CID 116516571) is 2-(2-phenylcyclopropyl)sulfonylacetic acid.
What is the SMILES notation for 2-(2-phenylcyclopropyl)sulfonylacetic acid?
The canonical SMILES for 2-(2-phenylcyclopropyl)sulfonylacetic acid is O=C(O)CS(=O)(=O)C1CC1c1ccccc1.
What is the InChIKey of 2-(2-phenylcyclopropyl)sulfonylacetic acid?
The InChIKey is QDXPCWXHPKPAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4S/c12-11(13)7-16(14,15)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13).
What are the key properties of 2-(2-phenylcyclopropyl)sulfonylacetic acid?
2-(2-phenylcyclopropyl)sulfonylacetic acid has a molecular weight of 240.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylcyclopropyl)sulfonylacetic acid is sourced from PubChem (CID 116516571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).