(Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate

C15H13O3S- — CID 134090409

IUPAC(Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate
SMILESC/C(=C(/[O-])c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-12(15(16)13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-14/h2-11,16H,1H3/p-1/b15-12-
InChIKeyKFUCFLQEALDUFS-QINSGFPZSA-M
MW273.33 g/mol
LogP2.21
Rot. Bonds3

About (Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate

(Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate (PubChem CID 134090409) has the molecular formula C15H13O3S- and a molecular weight of 273.33 g/mol. Its IUPAC name is (Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate.

Molecular Properties

Compound Name(Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate
PubChem CID134090409
Molecular FormulaC15H13O3S-
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name(Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate
SMILESC/C(=C(/[O-])c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-12(15(16)13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-14/h2-11,16H,1H3/p-1/b15-12-
InChIKeyKFUCFLQEALDUFS-QINSGFPZSA-M
XLogP2.21
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
but-2-en-2-ylsulfonylbenzene
CID 85377514
buta-2,3-dien-2-ylsulfonylbenzene
CID 11830311
(E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate
CID 101162589
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
[benzenesulfonyl(diazo)methyl]benzene
CID 15258201
(E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol
CID 10316777
lithium 1-phenylethanone
CID 22269591
[3-(benzenesulfonyl)-1,3-diphenylpropa-1,2-dienyl]benzene
CID 122210442
1-cyclopentylideneethylsulfonylbenzene
CID 12022055
3-phenylbut-2-ene-2-sulfonamide
CID 54510026
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate?
The IUPAC name of (Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate (CID 134090409) is (Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate.
What is the SMILES notation for (Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate?
The canonical SMILES for (Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate is C/C(=C(/[O-])c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate?
The InChIKey is KFUCFLQEALDUFS-QINSGFPZSA-M. The full InChI is InChI=1S/C15H14O3S/c1-12(15(16)13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-14/h2-11,16H,1H3/p-1/b15-12-.
What are the key properties of (Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate?
(Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate has a molecular weight of 273.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate is sourced from PubChem (CID 134090409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).