[1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene

C17H19FO4S2 — CID 15832190

IUPAC[1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene
SMILESCCC(F)CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19FO4S2/c1-2-14(18)13-17(23(19,20)15-9-5-3-6-10-15)24(21,22)16-11-7-4-8-12-16/h3-12,14,17H,2,13H2,1H3
InChIKeyIBIXCLYBKRRVGG-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.40
Rot. Bonds7

About [1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene

[1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene (PubChem CID 15832190) has the molecular formula C17H19FO4S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene
PubChem CID15832190
Molecular FormulaC17H19FO4S2
Molecular Weight370.47 g/mol
Exact Mass370.07
IUPAC Name[1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene
SMILESCCC(F)CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19FO4S2/c1-2-14(18)13-17(23(19,20)15-9-5-3-6-10-15)24(21,22)16-11-7-4-8-12-16/h3-12,14,17H,2,13H2,1H3
InChIKeyIBIXCLYBKRRVGG-UHFFFAOYSA-N
XLogP3.40
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diphenyl sulfone
CID 31386
Fluoresone
CID 71814
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
(2-Propen-1-ylsulfonyl)benzene
CID 85330
(Ethylsulphonyl)benzene
CID 69032
Bis(phenylsulfonyl)methane
CID 76948
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
trans-1,2-Bis(phenylsulfonyl)ethylene
CID 5367099
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556
Butyl phenyl sulfone
CID 238507
3-(4-Phenylsulfanyl-benzenesulfonyl)-cyclohexanethiol
CID 19366867
((1-Methylethyl)sulfonyl)benzene
CID 199476

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene?
The IUPAC name of [1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene (CID 15832190) is [1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene.
What is the SMILES notation for [1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene?
The canonical SMILES for [1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene is CCC(F)CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene?
The InChIKey is IBIXCLYBKRRVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO4S2/c1-2-14(18)13-17(23(19,20)15-9-5-3-6-10-15)24(21,22)16-11-7-4-8-12-16/h3-12,14,17H,2,13H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene?
[1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene has a molecular weight of 370.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene is sourced from PubChem (CID 15832190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).