N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine

C11H15ClFNO2S — CID 75431868

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO2S/c1-8(7-17(2,15)16)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyWYSVTGFHVILPNX-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.00
Rot. Bonds5

About N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine

N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 75431868) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID75431868
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO2S/c1-8(7-17(2,15)16)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyWYSVTGFHVILPNX-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine (CID 75431868) is N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCc1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is WYSVTGFHVILPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-8(7-17(2,15)16)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 279.76 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 75431868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).