4-(4-fluorophenyl)sulfonylbutan-1-amine

C10H14FNO2S — CID 28753396

IUPAC4-(4-fluorophenyl)sulfonylbutan-1-amine
SMILESNCCCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c11-9-3-5-10(6-4-9)15(13,14)8-2-1-7-12/h3-6H,1-2,7-8,12H2
InChIKeySTEBBTLPWRFBHC-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.34
Rot. Bonds5

About 4-(4-fluorophenyl)sulfonylbutan-1-amine

4-(4-fluorophenyl)sulfonylbutan-1-amine (PubChem CID 28753396) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonylbutan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonylbutan-1-amine
PubChem CID28753396
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name4-(4-fluorophenyl)sulfonylbutan-1-amine
SMILESNCCCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c11-9-3-5-10(6-4-9)15(13,14)8-2-1-7-12/h3-6H,1-2,7-8,12H2
InChIKeySTEBBTLPWRFBHC-UHFFFAOYSA-N
XLogP1.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.34
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 4-(4-fluorophenyl)sulfonylbutan-1-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfonylbutan-1-amine (CID 28753396) is 4-(4-fluorophenyl)sulfonylbutan-1-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonylbutan-1-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonylbutan-1-amine is NCCCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonylbutan-1-amine?
The InChIKey is STEBBTLPWRFBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c11-9-3-5-10(6-4-9)15(13,14)8-2-1-7-12/h3-6H,1-2,7-8,12H2.
What are the key properties of 4-(4-fluorophenyl)sulfonylbutan-1-amine?
4-(4-fluorophenyl)sulfonylbutan-1-amine has a molecular weight of 231.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonylbutan-1-amine is sourced from PubChem (CID 28753396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).