2-(4-fluorophenyl)-5-methylsulfonylaniline

C13H12FNO2S — CID 175686631

IUPAC2-(4-fluorophenyl)-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(N)c1
InChIInChI=1S/C13H12FNO2S/c1-18(16,17)11-6-7-12(13(15)8-11)9-2-4-10(14)5-3-9/h2-8H,15H2,1H3
InChIKeyGOOUPMQOYZDGOF-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.48
Rot. Bonds2

About 2-(4-fluorophenyl)-5-methylsulfonylaniline

2-(4-fluorophenyl)-5-methylsulfonylaniline (PubChem CID 175686631) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methylsulfonylaniline
PubChem CID175686631
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name2-(4-fluorophenyl)-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(N)c1
InChIInChI=1S/C13H12FNO2S/c1-18(16,17)11-6-7-12(13(15)8-11)9-2-4-10(14)5-3-9/h2-8H,15H2,1H3
InChIKeyGOOUPMQOYZDGOF-UHFFFAOYSA-N
XLogP2.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.48
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

2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline
CID 16754337
5-fluoro-2-(4-fluorophenyl)aniline
CID 46312178
4,5-bis(4-fluorophenyl)benzene-1,2-diamine
CID 135324537
3-(4-fluorophenyl)-5-iodo-2-(4-methylsulfonylphenyl)-1H-pyrrole
CID 11743998
2-(2,4-difluorophenyl)sulfanyl-5-methylsulfonylaniline
CID 43448248
5-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole
CID 10363199
[4-(4-aminophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)-5-methylsulfonylphenyl]methanone
CID 59822756
4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene
CID 126737250
N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide
CID 139699336
(2-amino-4-methylsulfonylphenyl)methanol
CID 139269655
1,2-difluoro-4-(3-methylphenyl)-5-(4-methylsulfonylphenyl)benzene
CID 23451201
4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
CID 82307548

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methylsulfonylaniline?
The IUPAC name of 2-(4-fluorophenyl)-5-methylsulfonylaniline (CID 175686631) is 2-(4-fluorophenyl)-5-methylsulfonylaniline.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methylsulfonylaniline?
The canonical SMILES for 2-(4-fluorophenyl)-5-methylsulfonylaniline is CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(N)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methylsulfonylaniline?
The InChIKey is GOOUPMQOYZDGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-18(16,17)11-6-7-12(13(15)8-11)9-2-4-10(14)5-3-9/h2-8H,15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methylsulfonylaniline?
2-(4-fluorophenyl)-5-methylsulfonylaniline has a molecular weight of 265.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methylsulfonylaniline is sourced from PubChem (CID 175686631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).