4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide

C12H17F3N2O2S — CID 106069514

IUPAC4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C12H17F3N2O2S/c1-2-16-5-3-4-6-20(18,19)17-12-10(14)7-9(13)8-11(12)15/h7-8,16-17H,2-6H2,1H3
InChIKeyZWBPOUPDBZOJAN-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.24
Rot. Bonds8

About 4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide

4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide (PubChem CID 106069514) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
PubChem CID106069514
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C12H17F3N2O2S/c1-2-16-5-3-4-6-20(18,19)17-12-10(14)7-9(13)8-11(12)15/h7-8,16-17H,2-6H2,1H3
InChIKeyZWBPOUPDBZOJAN-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.24
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-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-(2,6-dichloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106075621
4-(propylamino)-N-(2,3,5-trifluorophenyl)butane-1-sulfonamide
CID 106056266
4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
CID 106071458
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106066644
N-(2-bromo-4,6-dimethylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106072927
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)propane-1-sulfonamide
CID 106055202
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
CID 60640147

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide (CID 106069514) is 4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1c(F)cc(F)cc1F.
What is the InChIKey of 4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide?
The InChIKey is ZWBPOUPDBZOJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-2-16-5-3-4-6-20(18,19)17-12-10(14)7-9(13)8-11(12)15/h7-8,16-17H,2-6H2,1H3.
What are the key properties of 4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide?
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide has a molecular weight of 310.34 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 106069514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).