[2-(benzenesulfonyl)-1-fluoroethyl]benzene

C14H13FO2S — CID 72723300

IUPAC[2-(benzenesulfonyl)-1-fluoroethyl]benzene
SMILESO=S(=O)(CC(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13FO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyDQIYJBDUJVTXCG-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.17
Rot. Bonds4

About [2-(benzenesulfonyl)-1-fluoroethyl]benzene

[2-(benzenesulfonyl)-1-fluoroethyl]benzene (PubChem CID 72723300) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-1-fluoroethyl]benzene.

Molecular Properties

Compound Name[2-(benzenesulfonyl)-1-fluoroethyl]benzene
PubChem CID72723300
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name[2-(benzenesulfonyl)-1-fluoroethyl]benzene
SMILESO=S(=O)(CC(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13FO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyDQIYJBDUJVTXCG-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzenesulfonyl)propan-2-amine
CID 62917209
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
4-[2-(benzenesulfonyl)-1-phenylethyl]pyrazolidine-3,5-dione
CID 23250514
N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline
CID 164665998
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
2-(benzenesulfonyl)-1-(3,4-difluorophenyl)ethanamine
CID 82359948
(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine
CID 167596335
2-(benzenesulfonylmethyl)-3,3,3-trifluoropropanenitrile
CID 103372411
2-fluoroethylsulfonylbenzene
CID 66796542
2,2-diethoxyethylsulfonylbenzene
CID 11436831

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-1-fluoroethyl]benzene?
The IUPAC name of [2-(benzenesulfonyl)-1-fluoroethyl]benzene (CID 72723300) is [2-(benzenesulfonyl)-1-fluoroethyl]benzene.
What is the SMILES notation for [2-(benzenesulfonyl)-1-fluoroethyl]benzene?
The canonical SMILES for [2-(benzenesulfonyl)-1-fluoroethyl]benzene is O=S(=O)(CC(F)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)-1-fluoroethyl]benzene?
The InChIKey is DQIYJBDUJVTXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of [2-(benzenesulfonyl)-1-fluoroethyl]benzene?
[2-(benzenesulfonyl)-1-fluoroethyl]benzene has a molecular weight of 264.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)-1-fluoroethyl]benzene is sourced from PubChem (CID 72723300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).