4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide

C13H21FN2O2S — CID 106083705

IUPAC4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1c(C)cccc1F
InChIInChI=1S/C13H21FN2O2S/c1-3-15-9-4-5-10-19(17,18)16-13-11(2)7-6-8-12(13)14/h6-8,15-16H,3-5,9-10H2,1-2H3
InChIKeyCSMDLTNCKTUUDU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.27
Rot. Bonds8

About 4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide

4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide (PubChem CID 106083705) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
PubChem CID106083705
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1c(C)cccc1F
InChIInChI=1S/C13H21FN2O2S/c1-3-15-9-4-5-10-19(17,18)16-13-11(2)7-6-8-12(13)14/h6-8,15-16H,3-5,9-10H2,1-2H3
InChIKeyCSMDLTNCKTUUDU-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.27
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-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
CID 106083766
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069514
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 114142503
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline
CID 164657353
N-(2-bromo-4,6-dimethylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106072927
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-difluorophenyl)ethanesulfonamide
CID 60642898
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide (CID 106083705) is 4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1c(C)cccc1F.
What is the InChIKey of 4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide?
The InChIKey is CSMDLTNCKTUUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-3-15-9-4-5-10-19(17,18)16-13-11(2)7-6-8-12(13)14/h6-8,15-16H,3-5,9-10H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide?
4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 2.27, 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-fluoro-6-methylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 106083705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).