(triphenyl-λ4-sulfanyl) 2-fluorobenzoate

C25H19FO2S — CID 12993895

IUPAC(triphenyl-λ4-sulfanyl) 2-fluorobenzoate
SMILESO=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1F
InChIInChI=1S/C25H19FO2S/c26-24-19-11-10-18-23(24)25(27)28-29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyVBRICDPYTADOCE-UHFFFAOYSA-N
MW402.49 g/mol
LogP6.88
Rot. Bonds5

About (triphenyl-λ4-sulfanyl) 2-fluorobenzoate

(triphenyl-λ4-sulfanyl) 2-fluorobenzoate (PubChem CID 12993895) has the molecular formula C25H19FO2S and a molecular weight of 402.49 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) 2-fluorobenzoate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) 2-fluorobenzoate
PubChem CID12993895
Molecular FormulaC25H19FO2S
Molecular Weight402.49 g/mol
Exact Mass402.11
IUPAC Name(triphenyl-λ4-sulfanyl) 2-fluorobenzoate
SMILESO=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1F
InChIInChI=1S/C25H19FO2S/c26-24-19-11-10-18-23(24)25(27)28-29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyVBRICDPYTADOCE-UHFFFAOYSA-N
XLogP6.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (triphenyl-λ4-sulfanyl) 2-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bromo 2-fluorobenzoate
CID 68843510
[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414
2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone
CID 62917039
(triphenyl-λ4-sulfanyl) pyridine-2-carboxylate
CID 140714321
ethane;2-fluorobenzoic acid
CID 91182768
4-(2-fluorobenzoyl)oxybenzoic acid
CID 54854449
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
2-fluorobenzoic acid;oxalic acid;hydrate
CID 172785033
2,2,2-tribromoethyl 2-fluorobenzoate
CID 134101352
2-fluorobenzoyl chloride
CID 9808
[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate
CID 45155689
1-(dimethylamino)ethyl 2-fluorobenzoate
CID 175337343

Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) 2-fluorobenzoate?
The IUPAC name of (triphenyl-λ4-sulfanyl) 2-fluorobenzoate (CID 12993895) is (triphenyl-λ4-sulfanyl) 2-fluorobenzoate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) 2-fluorobenzoate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) 2-fluorobenzoate is O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1F.
What is the InChIKey of (triphenyl-λ4-sulfanyl) 2-fluorobenzoate?
The InChIKey is VBRICDPYTADOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FO2S/c26-24-19-11-10-18-23(24)25(27)28-29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H.
What are the key properties of (triphenyl-λ4-sulfanyl) 2-fluorobenzoate?
(triphenyl-λ4-sulfanyl) 2-fluorobenzoate has a molecular weight of 402.49 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) 2-fluorobenzoate is sourced from PubChem (CID 12993895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).