[(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene

C17H17FO4S2 — CID 44519652

IUPAC[(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene
SMILESC=C[C@@H](C)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17FO4S2/c1-3-14(2)17(18,23(19,20)15-10-6-4-7-11-15)24(21,22)16-12-8-5-9-13-16/h3-14H,1H2,2H3/t14-/m1/s1
InChIKeyMGDVFQGGQGWVCZ-CQSZACIVSA-N
MW368.45 g/mol
LogP3.38
Rot. Bonds6

About [(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene

[(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene (PubChem CID 44519652) has the molecular formula C17H17FO4S2 and a molecular weight of 368.45 g/mol. Its IUPAC name is [(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene
PubChem CID44519652
Molecular FormulaC17H17FO4S2
Molecular Weight368.45 g/mol
Exact Mass368.06
IUPAC Name[(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene
SMILESC=C[C@@H](C)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17FO4S2/c1-3-14(2)17(18,23(19,20)15-10-6-4-7-11-15)24(21,22)16-12-8-5-9-13-16/h3-14H,1H2,2H3/t14-/m1/s1
InChIKeyMGDVFQGGQGWVCZ-CQSZACIVSA-N
XLogP3.38
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diphenyl sulfone
CID 31386
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
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
1,1'-((1Z)-1,2-Ethenediylbis(sulfonyl))bis(benzene)
CID 5383944
Phenyl t-butyl sulfone
CID 138142
Benzenesulfonic acid, 3-(phenylsulfonyl)-, potassium salt (1:1)
CID 23686562
Sulfonium, triphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CID 11729320
Benzene, 1,1'-[cyclopentylidenebis(sulfonyl)]bis-
CID 1380165
[(1E,3E)-4-(benzenesulfonyl)buta-1,3-dienyl]sulfonylbenzene
CID 5468033

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene?
The IUPAC name of [(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene (CID 44519652) is [(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene.
What is the SMILES notation for [(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene?
The canonical SMILES for [(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene is C=C[C@@H](C)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene?
The InChIKey is MGDVFQGGQGWVCZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17FO4S2/c1-3-14(2)17(18,23(19,20)15-10-6-4-7-11-15)24(21,22)16-12-8-5-9-13-16/h3-14H,1H2,2H3/t14-/m1/s1.
What are the key properties of [(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene?
[(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene has a molecular weight of 368.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzenesulfonyl)-1-fluoro-2-methylbut-3-enyl]sulfonylbenzene is sourced from PubChem (CID 44519652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).