N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide

C14H23FN2O2S — CID 106062305

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H23FN2O2S/c1-12(11-13-5-7-14(15)8-6-13)17-20(18,19)10-4-3-9-16-2/h5-8,12,16-17H,3-4,9-11H2,1-2H3
InChIKeyREFMNYQININXBF-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.68
Rot. Bonds9

About N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide

N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide (PubChem CID 106062305) has the molecular formula C14H23FN2O2S and a molecular weight of 302.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide
PubChem CID106062305
Molecular FormulaC14H23FN2O2S
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H23FN2O2S/c1-12(11-13-5-7-14(15)8-6-13)17-20(18,19)10-4-3-9-16-2/h5-8,12,16-17H,3-4,9-11H2,1-2H3
InChIKeyREFMNYQININXBF-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
CID 106062304
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]propane-1-sulfonamide
CID 62997355
methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate
CID 62995687
3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide
CID 106053228
N-(1-phenylpropan-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106062418
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide
CID 106053238
N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1-sulfonamide
CID 114009928

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide (CID 106062305) is N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide?
The InChIKey is REFMNYQININXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-12(11-13-5-7-14(15)8-6-13)17-20(18,19)10-4-3-9-16-2/h5-8,12,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide?
N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide has a molecular weight of 302.41 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106062305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).