5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline

C15H15ClFNO2S — CID 71997874

IUPAC5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline
SMILESCS(=O)(=O)Cc1ccc(Cl)cc1NCc1ccccc1F
InChIInChI=1S/C15H15ClFNO2S/c1-21(19,20)10-12-6-7-13(16)8-15(12)18-9-11-4-2-3-5-14(11)17/h2-8,18H,9-10H2,1H3
InChIKeyFUBFUYZNUWOOME-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.64
Rot. Bonds5

About 5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline

5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline (PubChem CID 71997874) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline
PubChem CID71997874
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline
SMILESCS(=O)(=O)Cc1ccc(Cl)cc1NCc1ccccc1F
InChIInChI=1S/C15H15ClFNO2S/c1-21(19,20)10-12-6-7-13(16)8-15(12)18-9-11-4-2-3-5-14(11)17/h2-8,18H,9-10H2,1H3
InChIKeyFUBFUYZNUWOOME-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline?
The IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline (CID 71997874) is 5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline.
What is the SMILES notation for 5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline?
The canonical SMILES for 5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline is CS(=O)(=O)Cc1ccc(Cl)cc1NCc1ccccc1F.
What is the InChIKey of 5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline?
The InChIKey is FUBFUYZNUWOOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-21(19,20)10-12-6-7-13(16)8-15(12)18-9-11-4-2-3-5-14(11)17/h2-8,18H,9-10H2,1H3.
What are the key properties of 5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline?
5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline has a molecular weight of 327.81 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline is sourced from PubChem (CID 71997874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).