4-benzylbenzenesulfonyl fluoride

C13H11FO2S — CID 139660106

IUPAC4-benzylbenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H11FO2S/c14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyJPFRRXPAHWCKCM-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.94
Rot. Bonds3

About 4-benzylbenzenesulfonyl fluoride

4-benzylbenzenesulfonyl fluoride (PubChem CID 139660106) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-benzylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-benzylbenzenesulfonyl fluoride
PubChem CID139660106
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name4-benzylbenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H11FO2S/c14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyJPFRRXPAHWCKCM-UHFFFAOYSA-N
XLogP2.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(anilinomethyl)benzenesulfonyl fluoride
CID 154447253
phenyl(113C)methylbenzene
CID 11194569
benzenesulfonic acid;benzylbenzene
CID 18989090
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride
CID 171538167
4-(chlorosulfonylmethyl)benzenesulfonyl fluoride
CID 117062919
4-(cyanomethyl)benzenesulfonyl fluoride
CID 165452761
4-(isocyanomethyl)benzenesulfonyl fluoride
CID 178201065
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
1,4-bis(4-benzylphenyl)benzene
CID 58251041
lithium;benzylbenzene;diisocyanate
CID 19690442

Frequently Asked Questions

What is the IUPAC name of 4-benzylbenzenesulfonyl fluoride?
The IUPAC name of 4-benzylbenzenesulfonyl fluoride (CID 139660106) is 4-benzylbenzenesulfonyl fluoride.
What is the SMILES notation for 4-benzylbenzenesulfonyl fluoride?
The canonical SMILES for 4-benzylbenzenesulfonyl fluoride is O=S(=O)(F)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-benzylbenzenesulfonyl fluoride?
The InChIKey is JPFRRXPAHWCKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 4-benzylbenzenesulfonyl fluoride?
4-benzylbenzenesulfonyl fluoride has a molecular weight of 250.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylbenzenesulfonyl fluoride is sourced from PubChem (CID 139660106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).