2-[2-(4-fluorophenyl)sulfinylethyl]aniline

C14H14FNOS — CID 55079347

IUPAC2-[2-(4-fluorophenyl)sulfinylethyl]aniline
SMILESNc1ccccc1CCS(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNOS/c15-12-5-7-13(8-6-12)18(17)10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,16H2
InChIKeyOODSCGMEJNKBTC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.76
Rot. Bonds4

About 2-[2-(4-fluorophenyl)sulfinylethyl]aniline

2-[2-(4-fluorophenyl)sulfinylethyl]aniline (PubChem CID 55079347) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfinylethyl]aniline.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfinylethyl]aniline
PubChem CID55079347
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name2-[2-(4-fluorophenyl)sulfinylethyl]aniline
SMILESNc1ccccc1CCS(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNOS/c15-12-5-7-13(8-6-12)18(17)10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,16H2
InChIKeyOODSCGMEJNKBTC-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-tert-butylphenyl)sulfinylethyl]aniline
CID 62495255
2-[2-(3-bromophenyl)sulfinylethyl]aniline
CID 55119913
4-[2-(4-fluorophenyl)sulfinylethyl]aniline
CID 61304596
2-[2-(2-bromophenyl)sulfinylethyl]aniline
CID 55079394
1-fluoro-4-(4-phenylbutylsulfinyl)benzene
CID 114334866
3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
2-[2-(2-methylsulfonylethylsulfinyl)ethyl]aniline
CID 63659056
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline
CID 13217691
2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 61302612
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
2-[2-[(4-chlorophenyl)methylsulfinyl]ethyl]aniline
CID 114790905
5-fluoro-2-(2-phenylethylsulfinyl)aniline
CID 81185390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfinylethyl]aniline?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfinylethyl]aniline (CID 55079347) is 2-[2-(4-fluorophenyl)sulfinylethyl]aniline.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfinylethyl]aniline?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfinylethyl]aniline is Nc1ccccc1CCS(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfinylethyl]aniline?
The InChIKey is OODSCGMEJNKBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c15-12-5-7-13(8-6-12)18(17)10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,16H2.
What are the key properties of 2-[2-(4-fluorophenyl)sulfinylethyl]aniline?
2-[2-(4-fluorophenyl)sulfinylethyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfinylethyl]aniline is sourced from PubChem (CID 55079347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).