2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone

C14H11FO3S — CID 1483401

IUPAC2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H11FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyFCXNRTNBPQUTBL-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.48
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone

2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone (PubChem CID 1483401) has the molecular formula C14H11FO3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone
PubChem CID1483401
Molecular FormulaC14H11FO3S
Molecular Weight278.30 g/mol
Exact Mass278.04
IUPAC Name2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H11FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyFCXNRTNBPQUTBL-UHFFFAOYSA-N
XLogP2.48
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone (CID 1483401) is 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone is O=C(CS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone?
The InChIKey is FCXNRTNBPQUTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone?
2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone has a molecular weight of 278.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 1483401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).