4-fluoro-2-(methylsulfonylmethyl)aniline

C8H10FNO2S — CID 61024564

IUPAC4-fluoro-2-(methylsulfonylmethyl)aniline
SMILESCS(=O)(=O)Cc1cc(F)ccc1N
InChIInChI=1S/C8H10FNO2S/c1-13(11,12)5-6-4-7(9)2-3-8(6)10/h2-4H,5,10H2,1H3
InChIKeyTZQWYPVLRUDFOQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.95
Rot. Bonds2

About 4-fluoro-2-(methylsulfonylmethyl)aniline

4-fluoro-2-(methylsulfonylmethyl)aniline (PubChem CID 61024564) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-fluoro-2-(methylsulfonylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(methylsulfonylmethyl)aniline
PubChem CID61024564
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name4-fluoro-2-(methylsulfonylmethyl)aniline
SMILESCS(=O)(=O)Cc1cc(F)ccc1N
InChIInChI=1S/C8H10FNO2S/c1-13(11,12)5-6-4-7(9)2-3-8(6)10/h2-4H,5,10H2,1H3
InChIKeyTZQWYPVLRUDFOQ-UHFFFAOYSA-N
XLogP0.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.95
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

N,1-diphenylmethanesulfonamide
CID 669287
N-(4-Methylphenyl)methanesulfonamide
CID 835475
N-(2-ethylphenyl)-1-phenylmethanesulfonamide
CID 669288
N-(3-fluorophenyl)-1-phenylmethanesulfonamide
CID 872253
4-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 668798
N-(2-fluorophenyl)ethane-1-sulfonamide
CID 4693938
(E)-N-(4-Fluorophenyl)-2-Phenylethenesulfonamide
CID 730266
N-(4-fluorophenyl)-1-phenylmethanesulfonamide
CID 669259
(E)-N,2-Diphenylethenesulfonamide
CID 685506
alpha-Toluenesulfono-p-toluidide
CID 94958
2-[(Methylsulfanyl)methyl]aniline
CID 12357487
4'-Methyldodecane-1-sulfonanilide
CID 20576485

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methylsulfonylmethyl)aniline?
The IUPAC name of 4-fluoro-2-(methylsulfonylmethyl)aniline (CID 61024564) is 4-fluoro-2-(methylsulfonylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-(methylsulfonylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-(methylsulfonylmethyl)aniline is CS(=O)(=O)Cc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(methylsulfonylmethyl)aniline?
The InChIKey is TZQWYPVLRUDFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-13(11,12)5-6-4-7(9)2-3-8(6)10/h2-4H,5,10H2,1H3.
What are the key properties of 4-fluoro-2-(methylsulfonylmethyl)aniline?
4-fluoro-2-(methylsulfonylmethyl)aniline has a molecular weight of 203.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methylsulfonylmethyl)aniline is sourced from PubChem (CID 61024564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).