4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride

C25H18F2O4S2 — CID 171538167

IUPAC4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(S(=O)(=O)F)cc2)cc1
InChIInChI=1S/C25H18F2O4S2/c26-32(28,29)23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(18-14-22)33(27,30)31/h1-18H
InChIKeyXVGGPGRJCFRFTM-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.39
Rot. Bonds6

About 4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride

4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride (PubChem CID 171538167) has the molecular formula C25H18F2O4S2 and a molecular weight of 484.55 g/mol. Its IUPAC name is 4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride
PubChem CID171538167
Molecular FormulaC25H18F2O4S2
Molecular Weight484.55 g/mol
Exact Mass484.06
IUPAC Name4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(S(=O)(=O)F)cc2)cc1
InChIInChI=1S/C25H18F2O4S2/c26-32(28,29)23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(18-14-22)33(27,30)31/h1-18H
InChIKeyXVGGPGRJCFRFTM-UHFFFAOYSA-N
XLogP5.39
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

sulfuryl dichloride;tritylbenzene
CID 174476389
4-benzylbenzenesulfonyl fluoride
CID 139660106
(4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide
CID 177423613
fluoro(phenyl)methanedisulfonyl fluoride
CID 170192333
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
1-chloro-4-tritylbenzene
CID 14737307
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
4-[bis[4-[4-(benzenesulfonyl)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 122429621
(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
CID 23240617
4-(anilinomethyl)benzenesulfonyl fluoride
CID 154447253
[4-[[4-(4-fluorophenyl)sulfonyloxy-3-phenylphenyl]-diphenylmethyl]-2-phenylphenyl] 4-fluorobenzenesulfonate
CID 139795887
bromo-(4-tert-butylphenyl)-diphenyl-λ4-sulfane
CID 141160648

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride (CID 171538167) is 4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(S(=O)(=O)F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride?
The InChIKey is XVGGPGRJCFRFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2O4S2/c26-32(28,29)23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(18-14-22)33(27,30)31/h1-18H.
What are the key properties of 4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride?
4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride has a molecular weight of 484.55 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride is sourced from PubChem (CID 171538167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).