3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine

C9H11F2NO2S — CID 115040676

IUPAC3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine
SMILESNCCC(F)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H11F2NO2S/c10-7-1-3-8(4-2-7)15(13,14)9(11)5-6-12/h1-4,9H,5-6,12H2
InChIKeyNZRNRJSOQIWOJT-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.24
Rot. Bonds4

About 3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine

3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine (PubChem CID 115040676) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine
PubChem CID115040676
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC Name3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine
SMILESNCCC(F)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H11F2NO2S/c10-7-1-3-8(4-2-7)15(13,14)9(11)5-6-12/h1-4,9H,5-6,12H2
InChIKeyNZRNRJSOQIWOJT-UHFFFAOYSA-N
XLogP1.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
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4-(4-fluorophenyl)sulfonylbutan-1-amine
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3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine
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1-[2-(2,4-difluorophenyl)ethyl]-3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine;hydrochloride
CID 11654750
3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine
CID 117036289
3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine
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4-fluorobenzenesulfonamide;hydroiodide
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(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine?
The IUPAC name of 3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine (CID 115040676) is 3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine?
The canonical SMILES for 3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine is NCCC(F)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine?
The InChIKey is NZRNRJSOQIWOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c10-7-1-3-8(4-2-7)15(13,14)9(11)5-6-12/h1-4,9H,5-6,12H2.
What are the key properties of 3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine?
3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine has a molecular weight of 235.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine is sourced from PubChem (CID 115040676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).