N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide

C11H16BrFN2O2S — CID 106067092

IUPACN-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H16BrFN2O2S/c1-2-14-6-3-7-18(16,17)15-9-4-5-10(12)11(13)8-9/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyDEZPJFMJOXTTAX-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.33
Rot. Bonds7

About N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide

N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide (PubChem CID 106067092) has the molecular formula C11H16BrFN2O2S and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
PubChem CID106067092
Molecular FormulaC11H16BrFN2O2S
Molecular Weight339.23 g/mol
Exact Mass338.01
IUPAC NameN-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H16BrFN2O2S/c1-2-14-6-3-7-18(16,17)15-9-4-5-10(12)11(13)8-9/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyDEZPJFMJOXTTAX-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.33
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-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
CID 114258136
N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106057303
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 114142503
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069514
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide (CID 106067092) is N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide is CCNCCCS(=O)(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide?
The InChIKey is DEZPJFMJOXTTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O2S/c1-2-14-6-3-7-18(16,17)15-9-4-5-10(12)11(13)8-9/h4-5,8,14-15H,2-3,6-7H2,1H3.
What are the key properties of N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide?
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide has a molecular weight of 339.23 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide is sourced from PubChem (CID 106067092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).