1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene

C14H12F2O2S — CID 139197599

IUPAC1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene
SMILESC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12F2O2S/c1-10(11-2-4-12(15)5-3-11)19(17,18)14-8-6-13(16)7-9-14/h2-10H,1H3/t10-/m0/s1
InChIKeyNUCGKDYMKYFEEV-JTQLQIEISA-N
MW282.31 g/mol
LogP3.50
Rot. Bonds3

About 1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene

1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene (PubChem CID 139197599) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene
PubChem CID139197599
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene
SMILESC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12F2O2S/c1-10(11-2-4-12(15)5-3-11)19(17,18)14-8-6-13(16)7-9-14/h2-10H,1H3/t10-/m0/s1
InChIKeyNUCGKDYMKYFEEV-JTQLQIEISA-N
XLogP3.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
1-[1-(benzenesulfonyl)ethyl]-4-nitrobenzene
CID 4570430
4-[1-(benzenesulfonyl)ethyl]phenol
CID 44605384
1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene
CID 122600808
[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
CID 22901544
(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
CID 9161877
3-(4-fluorophenyl)sulfonyloxybutan-2-yl 4-fluorobenzenesulfonate
CID 89440333
(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077
1-[4-(1-phenylethylsulfonyl)phenyl]ethanone
CID 82165495
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
1-[1-(4-fluorophenyl)ethylsulfonylmethyl]-3,5-dimethylbenzene
CID 60531283

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene?
The IUPAC name of 1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene (CID 139197599) is 1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene?
The canonical SMILES for 1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene is C[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene?
The InChIKey is NUCGKDYMKYFEEV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12F2O2S/c1-10(11-2-4-12(15)5-3-11)19(17,18)14-8-6-13(16)7-9-14/h2-10H,1H3/t10-/m0/s1.
What are the key properties of 1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene?
1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene has a molecular weight of 282.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene is sourced from PubChem (CID 139197599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).