(Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate

C14H9Cl2O3S- — CID 134119880

IUPAC(Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate
SMILESO=S(=O)(/C=C(\[O-])c1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2O3S/c15-11-6-12(16)8-13(7-11)20(18,19)9-14(17)10-4-2-1-3-5-10/h1-9,17H/p-1/b14-9-
InChIKeySFUGRDFXKKCSOS-ZROIWOOFSA-M
MW328.20 g/mol
LogP3.13
Rot. Bonds3

About (Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate

(Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate (PubChem CID 134119880) has the molecular formula C14H9Cl2O3S- and a molecular weight of 328.20 g/mol. Its IUPAC name is (Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate.

Molecular Properties

Compound Name(Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate
PubChem CID134119880
Molecular FormulaC14H9Cl2O3S-
Molecular Weight328.20 g/mol
Exact Mass326.97
IUPAC Name(Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate
SMILESO=S(=O)(/C=C(\[O-])c1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2O3S/c15-11-6-12(16)8-13(7-11)20(18,19)9-14(17)10-4-2-1-3-5-10/h1-9,17H/p-1/b14-9-
InChIKeySFUGRDFXKKCSOS-ZROIWOOFSA-M
XLogP3.13
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.13
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

potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate
CID 134871528
1-(2,4-Dichlorophenyl)ethenyl 4-methylbenzenesulfonate
CID 162400171
2-[(3-Chlorophenyl)sulfonyl]-1,1-diphenyl-1-ethanol
CID 2765163
2-(3,4-Dichlorophenyl)sulfonyl-1-phenylethenol
CID 132469312
1-(2,4-Dichlorophenyl)sulfonyl-2-phenylpropan-2-ol
CID 19901324
Benzenemethanol, 2-chloro-4-[(phenylmethyl)thio]-, 1-methanesulfonate
CID 22388540
[4-[(2,6-Dichlorophenyl)sulfonylmethyl]phenyl]methanol
CID 54544920
(2-Phenyl-1,3-dithiolan-2-yl) 4-chlorobenzenesulfonate
CID 139641962
Benzyl 3-chlorobenzenesulfonate
CID 139696142
Benzyl 2,4-dichlorobenzenesulfonate
CID 139894327
1-[2-[(3,5-Dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol
CID 161259063
1-(3,5-Dichlorophenyl)ethyl phenylmethanesulfonate
CID 174898433

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate?
The IUPAC name of (Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate (CID 134119880) is (Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate.
What is the SMILES notation for (Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate?
The canonical SMILES for (Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate is O=S(=O)(/C=C(\[O-])c1ccccc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate?
The InChIKey is SFUGRDFXKKCSOS-ZROIWOOFSA-M. The full InChI is InChI=1S/C14H10Cl2O3S/c15-11-6-12(16)8-13(7-11)20(18,19)9-14(17)10-4-2-1-3-5-10/h1-9,17H/p-1/b14-9-.
What are the key properties of (Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate?
(Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate has a molecular weight of 328.20 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate is sourced from PubChem (CID 134119880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).