1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene

C15H14F2O4S2 — CID 122424196

IUPAC1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene
SMILESCC(C)(S(=O)(=O)c1cccc(F)c1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H14F2O4S2/c1-15(2,22(18,19)13-7-3-5-11(16)9-13)23(20,21)14-8-4-6-12(17)10-14/h3-10H,1-2H3
InChIKeyIRVMTWRFQDTHBY-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.95
Rot. Bonds4

About 1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene

1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene (PubChem CID 122424196) has the molecular formula C15H14F2O4S2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene
PubChem CID122424196
Molecular FormulaC15H14F2O4S2
Molecular Weight360.40 g/mol
Exact Mass360.03
IUPAC Name1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene
SMILESCC(C)(S(=O)(=O)c1cccc(F)c1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H14F2O4S2/c1-15(2,22(18,19)13-7-3-5-11(16)9-13)23(20,21)14-8-4-6-12(17)10-14/h3-10H,1-2H3
InChIKeyIRVMTWRFQDTHBY-UHFFFAOYSA-N
XLogP2.95
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724295
4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine
CID 122424276
1-fluoro-3-(iodomethylsulfonyl)benzene
CID 163495375
2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262307
N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 3853010
ethyl 3-fluorobenzenesulfonate
CID 15066297
(3-fluorophenyl)sulfonyl-methanidylazanium
CID 59280611
4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid
CID 122424258
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
3-(3-fluorophenyl)sulfonylpyridine-2,6-diamine
CID 175083603
1,3-difluorobenzene;sulfuryl dichloride
CID 87166886

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene?
The IUPAC name of 1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene (CID 122424196) is 1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene.
What is the SMILES notation for 1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene?
The canonical SMILES for 1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene is CC(C)(S(=O)(=O)c1cccc(F)c1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene?
The InChIKey is IRVMTWRFQDTHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O4S2/c1-15(2,22(18,19)13-7-3-5-11(16)9-13)23(20,21)14-8-4-6-12(17)10-14/h3-10H,1-2H3.
What are the key properties of 1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene?
1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene has a molecular weight of 360.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene is sourced from PubChem (CID 122424196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).