(Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid

C15H12O4S — CID 10565275

IUPAC(Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12O4S/c16-15(17)14(11-12-7-3-1-4-8-12)20(18,19)13-9-5-2-6-10-13/h1-11H,(H,16,17)/b14-11-
InChIKeyMJZMIQAPUGSKGX-KAMYIIQDSA-N
MW288.32 g/mol
LogP2.59
Rot. Bonds4

About (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid

(Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid (PubChem CID 10565275) has the molecular formula C15H12O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid
PubChem CID10565275
Molecular FormulaC15H12O4S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name(Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12O4S/c16-15(17)14(11-12-7-3-1-4-8-12)20(18,19)13-9-5-2-6-10-13/h1-11H,(H,16,17)/b14-11-
InChIKeyMJZMIQAPUGSKGX-KAMYIIQDSA-N
XLogP2.59
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoate
CID 101174198
(1E,4E)-2-(benzenesulfonyl)-4-methyl-1-phenylhexa-1,4-dien-3-one
CID 101351311
2-aminoethyl (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoate
CID 10520512
(2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid
CID 90286525
(Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide
CID 10638277
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]benzene
CID 134986797
(Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride
CID 10758097
2-hydroxy-3-phenylprop-2-enoic acid;sulfuric acid
CID 159269897
CID 175911579
CID 175911579
(E)-2-(butylsulfamoyl)-3-phenylprop-2-enoic acid
CID 70229641
N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride
CID 39878568

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid?
The IUPAC name of (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid (CID 10565275) is (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid is O=C(O)/C(=C/c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid?
The InChIKey is MJZMIQAPUGSKGX-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H12O4S/c16-15(17)14(11-12-7-3-1-4-8-12)20(18,19)13-9-5-2-6-10-13/h1-11H,(H,16,17)/b14-11-.
What are the key properties of (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid?
(Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid has a molecular weight of 288.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid is sourced from PubChem (CID 10565275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).