N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine

C11H16FNO2S — CID 64639643

IUPACN-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine
SMILESCCNCCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-2-13-8-3-9-16(14,15)11-6-4-10(12)5-7-11/h4-7,13H,2-3,8-9H2,1H3
InChIKeyFGEDPGBDNPPKDJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.60
Rot. Bonds6

About N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine

N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine (PubChem CID 64639643) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine
PubChem CID64639643
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine
SMILESCCNCCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-2-13-8-3-9-16(14,15)11-6-4-10(12)5-7-11/h4-7,13H,2-3,8-9H2,1H3
InChIKeyFGEDPGBDNPPKDJ-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine (CID 64639643) is N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine is CCNCCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine?
The InChIKey is FGEDPGBDNPPKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-2-13-8-3-9-16(14,15)11-6-4-10(12)5-7-11/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine?
N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)sulfonylpropan-1-amine is sourced from PubChem (CID 64639643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).