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

C15H25FN2O2S — CID 106062304

IUPAC4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H25FN2O2S/c1-3-17-10-4-5-11-21(19,20)18-13(2)12-14-6-8-15(16)9-7-14/h6-9,13,17-18H,3-5,10-12H2,1-2H3
InChIKeyDIPHDPCSDNXZMW-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.07
Rot. Bonds10

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

4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide (PubChem CID 106062304) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
PubChem CID106062304
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H25FN2O2S/c1-3-17-10-4-5-11-21(19,20)18-13(2)12-14-6-8-15(16)9-7-14/h6-9,13,17-18H,3-5,10-12H2,1-2H3
InChIKeyDIPHDPCSDNXZMW-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.07
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

N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide
CID 106062305
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-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 106049134
N-(1-phenylpropan-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106062418
4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide
CID 106053238
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
CID 106011733
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 106003380
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
CID 106079659
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
CID 106071458

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide (CID 106062304) is 4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide is CCNCCCCS(=O)(=O)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide?
The InChIKey is DIPHDPCSDNXZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-3-17-10-4-5-11-21(19,20)18-13(2)12-14-6-8-15(16)9-7-14/h6-9,13,17-18H,3-5,10-12H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide?
4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 106062304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).