(Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate

C14H10FO3S- — CID 134861433

IUPAC(Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate
SMILESO=S(=O)(/C(F)=C(\[O-])c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11FO3S/c15-14(13(16)11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10,16H/p-1/b14-13-
InChIKeyOFDZRLJHTOIPKO-YPKPFQOOSA-M
MW277.30 g/mol
LogP2.12
Rot. Bonds3

About (Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate

(Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate (PubChem CID 134861433) has the molecular formula C14H10FO3S- and a molecular weight of 277.30 g/mol. Its IUPAC name is (Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate.

Molecular Properties

Compound Name(Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate
PubChem CID134861433
Molecular FormulaC14H10FO3S-
Molecular Weight277.30 g/mol
Exact Mass277.03
IUPAC Name(Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate
SMILESO=S(=O)(/C(F)=C(\[O-])c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11FO3S/c15-14(13(16)11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10,16H/p-1/b14-13-
InChIKeyOFDZRLJHTOIPKO-YPKPFQOOSA-M
XLogP2.12
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate?
The IUPAC name of (Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate (CID 134861433) is (Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate.
What is the SMILES notation for (Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate?
The canonical SMILES for (Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate is O=S(=O)(/C(F)=C(\[O-])c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate?
The InChIKey is OFDZRLJHTOIPKO-YPKPFQOOSA-M. The full InChI is InChI=1S/C14H11FO3S/c15-14(13(16)11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10,16H/p-1/b14-13-.
What are the key properties of (Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate?
(Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate has a molecular weight of 277.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenolate is sourced from PubChem (CID 134861433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).