(2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid

C15H14O4S — CID 134877867

IUPAC(2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid
SMILESC[C@](C(=O)O)(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O4S/c1-15(14(16)17,12-8-4-2-5-9-12)20(18,19)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)/t15-/m1/s1
InChIKeyPILCLAVXCUMVEN-OAHLLOKOSA-N
MW290.34 g/mol
LogP2.46
Rot. Bonds4

About (2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid

(2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid (PubChem CID 134877867) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is (2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid
PubChem CID134877867
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name(2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid
SMILESC[C@](C(=O)O)(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O4S/c1-15(14(16)17,12-8-4-2-5-9-12)20(18,19)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)/t15-/m1/s1
InChIKeyPILCLAVXCUMVEN-OAHLLOKOSA-N
XLogP2.46
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(benzenesulfonyl)-2,6-diphenylheptan-4-one
CID 174469215
1,4-bis(tribromomethyl)benzene;tribromomethylsulfonylbenzene
CID 174906410
benzene;tribromomethylsulfonylbenzene
CID 70302042
ethane;trifluoromethylsulfonylbenzene
CID 144556552
sodium;hydride;3-oxo-2-phenylbutane-2-sulfonic acid
CID 173415905
2-(benzenesulfonyl)but-3-en-2-ylbenzene
CID 134900402
[benzenesulfonyl(diphenyl)methyl]-phenylphosphanium
CID 173344364
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
CID 161419410
CID 161419410
tert-butylbenzene;sulfuric acid;hydrochloride
CID 175109933
lithium;tert-butylbenzene;hydride;sulfuric acid
CID 173469295
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid?
The IUPAC name of (2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid (CID 134877867) is (2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid is C[C@](C(=O)O)(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid?
The InChIKey is PILCLAVXCUMVEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14O4S/c1-15(14(16)17,12-8-4-2-5-9-12)20(18,19)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)/t15-/m1/s1.
What are the key properties of (2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid?
(2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzenesulfonyl)-2-phenylpropanoic acid is sourced from PubChem (CID 134877867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).