N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline

C15H16FNO2S — CID 25343773

IUPACN-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline
SMILESCc1ccc(S(C)(=O)=O)cc1NCc1ccccc1F
InChIInChI=1S/C15H16FNO2S/c1-11-7-8-13(20(2,18)19)9-15(11)17-10-12-5-3-4-6-14(12)16/h3-9,17H,10H2,1-2H3
InChIKeyXOSMGIIBHGKZSD-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.15
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline

N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline (PubChem CID 25343773) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline
PubChem CID25343773
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline
SMILESCc1ccc(S(C)(=O)=O)cc1NCc1ccccc1F
InChIInChI=1S/C15H16FNO2S/c1-11-7-8-13(20(2,18)19)9-15(11)17-10-12-5-3-4-6-14(12)16/h3-9,17H,10H2,1-2H3
InChIKeyXOSMGIIBHGKZSD-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline (CID 25343773) is N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline is Cc1ccc(S(C)(=O)=O)cc1NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline?
The InChIKey is XOSMGIIBHGKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11-7-8-13(20(2,18)19)9-15(11)17-10-12-5-3-4-6-14(12)16/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline?
N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline has a molecular weight of 293.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methyl-5-methylsulfonylaniline is sourced from PubChem (CID 25343773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).