5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline

C14H14FNO3S — CID 43444217

IUPAC5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline
SMILESCOc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1N
InChIInChI=1S/C14H14FNO3S/c1-19-14-7-2-10(8-13(14)16)9-20(17,18)12-5-3-11(15)4-6-12/h2-8H,9,16H2,1H3
InChIKeyFAYWROUKPKTVDC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.39
Rot. Bonds4

About 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline

5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline (PubChem CID 43444217) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline
PubChem CID43444217
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline
SMILESCOc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1N
InChIInChI=1S/C14H14FNO3S/c1-19-14-7-2-10(8-13(14)16)9-20(17,18)12-5-3-11(15)4-6-12/h2-8H,9,16H2,1H3
InChIKeyFAYWROUKPKTVDC-UHFFFAOYSA-N
XLogP2.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol
CID 127244158
2-chloro-5-[(4-fluorophenyl)sulfonylmethyl]aniline
CID 43444225
N-(3-amino-4-methoxyphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43604676
[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 65343771
3-[(4-fluorophenyl)sulfonylmethyl]aniline
CID 43382293
5-[[N-[(3-amino-4-methoxyphenyl)methyl]-4-fluoroanilino]methyl]-2-methoxyaniline
CID 59540456
[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
CID 107881466
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
3-fluoro-5-[(4-methoxyphenyl)sulfonylmethyl]aniline
CID 115980924
2-methoxy-5-[(3-methylphenyl)methylsulfonylmethyl]aniline
CID 62769862
2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]-4-methylaniline
CID 81191620
[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
CID 64640596

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline?
The IUPAC name of 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline (CID 43444217) is 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline?
The canonical SMILES for 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline is COc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1N.
What is the InChIKey of 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline?
The InChIKey is FAYWROUKPKTVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-19-14-7-2-10(8-13(14)16)9-20(17,18)12-5-3-11(15)4-6-12/h2-8H,9,16H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline?
5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline has a molecular weight of 295.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline is sourced from PubChem (CID 43444217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).