N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine

C10H13ClFNO2S — CID 102615517

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CCNCc1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNO2S/c1-16(14,15)5-4-13-7-8-6-9(12)2-3-10(8)11/h2-3,6,13H,4-5,7H2,1H3
InChIKeyOUVYFSXSRLRCCB-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.61
Rot. Bonds5

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

N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine (PubChem CID 102615517) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine
PubChem CID102615517
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CCNCc1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNO2S/c1-16(14,15)5-4-13-7-8-6-9(12)2-3-10(8)11/h2-3,6,13H,4-5,7H2,1H3
InChIKeyOUVYFSXSRLRCCB-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 102615537
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine
CID 107319753
4-[(2-chloro-5-fluorophenyl)methylamino]butanamide
CID 102615506
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547
N-[(2-chloro-5-fluorophenyl)methyl]prop-2-yn-1-amine
CID 102615324
N-[(4-chloro-3-methylphenyl)methyl]-2-methylsulfonylethanamine
CID 103991082
6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol
CID 107851583
N-[(2-chloro-5-fluorophenyl)methyl]-3-ethoxypropan-1-amine
CID 102615423
2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid
CID 102616791

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine (CID 102615517) is N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine is CS(=O)(=O)CCNCc1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine?
The InChIKey is OUVYFSXSRLRCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-16(14,15)5-4-13-7-8-6-9(12)2-3-10(8)11/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine?
N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine has a molecular weight of 265.74 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine is sourced from PubChem (CID 102615517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).