5-fluoro-2-(3-phenylpropylsulfonyl)aniline

C15H16FNO2S — CID 81186290

IUPAC5-fluoro-2-(3-phenylpropylsulfonyl)aniline
SMILESNc1cc(F)ccc1S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C15H16FNO2S/c16-13-8-9-15(14(17)11-13)20(18,19)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,17H2
InChIKeyGJYFVMOYDPQDJQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.81
Rot. Bonds5

About 5-fluoro-2-(3-phenylpropylsulfonyl)aniline

5-fluoro-2-(3-phenylpropylsulfonyl)aniline (PubChem CID 81186290) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-fluoro-2-(3-phenylpropylsulfonyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(3-phenylpropylsulfonyl)aniline
PubChem CID81186290
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name5-fluoro-2-(3-phenylpropylsulfonyl)aniline
SMILESNc1cc(F)ccc1S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C15H16FNO2S/c16-13-8-9-15(14(17)11-13)20(18,19)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,17H2
InChIKeyGJYFVMOYDPQDJQ-UHFFFAOYSA-N
XLogP2.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-octylsulfonylaniline
CID 81185523
5-fluoro-2-(2-phenylsulfanylethylsulfonyl)aniline
CID 81184875
2-methyl-3-(3-phenylpropylsulfonyl)aniline
CID 81190311
2-[(3,5-difluorophenyl)methylsulfonyl]-5-fluoroaniline
CID 105411581
5-fluoro-2-(2-pyrrolidin-1-ylethylsulfonyl)aniline
CID 114015319
5-fluoro-2-(2-propan-2-yloxyethylsulfonyl)aniline
CID 81184691
5-fluoro-2-(2-pyrazol-1-ylethylsulfonyl)aniline
CID 81185064
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509
5-(2-amino-5-fluorophenyl)sulfonylpentanenitrile
CID 81183168
5-fluoro-2-methylsulfonylaniline
CID 22567345

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-phenylpropylsulfonyl)aniline?
The IUPAC name of 5-fluoro-2-(3-phenylpropylsulfonyl)aniline (CID 81186290) is 5-fluoro-2-(3-phenylpropylsulfonyl)aniline.
What is the SMILES notation for 5-fluoro-2-(3-phenylpropylsulfonyl)aniline?
The canonical SMILES for 5-fluoro-2-(3-phenylpropylsulfonyl)aniline is Nc1cc(F)ccc1S(=O)(=O)CCCc1ccccc1.
What is the InChIKey of 5-fluoro-2-(3-phenylpropylsulfonyl)aniline?
The InChIKey is GJYFVMOYDPQDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c16-13-8-9-15(14(17)11-13)20(18,19)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,17H2.
What are the key properties of 5-fluoro-2-(3-phenylpropylsulfonyl)aniline?
5-fluoro-2-(3-phenylpropylsulfonyl)aniline has a molecular weight of 293.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-phenylpropylsulfonyl)aniline is sourced from PubChem (CID 81186290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).