1-(benzenesulfonylmethyl)-4-fluorobenzene

C13H11FO2S — CID 2740433

IUPAC1-(benzenesulfonylmethyl)-4-fluorobenzene
SMILESO=S(=O)(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H11FO2S/c14-12-8-6-11(7-9-12)10-17(15,16)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyYSCXGVZQONMRAU-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.80
Rot. Bonds3

About 1-(benzenesulfonylmethyl)-4-fluorobenzene

1-(benzenesulfonylmethyl)-4-fluorobenzene (PubChem CID 2740433) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(benzenesulfonylmethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(benzenesulfonylmethyl)-4-fluorobenzene
PubChem CID2740433
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name1-(benzenesulfonylmethyl)-4-fluorobenzene
SMILESO=S(=O)(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H11FO2S/c14-12-8-6-11(7-9-12)10-17(15,16)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyYSCXGVZQONMRAU-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonylmethyl)-4-fluorobenzene?
The IUPAC name of 1-(benzenesulfonylmethyl)-4-fluorobenzene (CID 2740433) is 1-(benzenesulfonylmethyl)-4-fluorobenzene.
What is the SMILES notation for 1-(benzenesulfonylmethyl)-4-fluorobenzene?
The canonical SMILES for 1-(benzenesulfonylmethyl)-4-fluorobenzene is O=S(=O)(Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonylmethyl)-4-fluorobenzene?
The InChIKey is YSCXGVZQONMRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c14-12-8-6-11(7-9-12)10-17(15,16)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 1-(benzenesulfonylmethyl)-4-fluorobenzene?
1-(benzenesulfonylmethyl)-4-fluorobenzene has a molecular weight of 250.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonylmethyl)-4-fluorobenzene is sourced from PubChem (CID 2740433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).