4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide

C10H14ClFN2O2S — CID 106083654

IUPAC4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C10H14ClFN2O2S/c11-8-4-3-5-9(12)10(8)14-17(15,16)7-2-1-6-13/h3-5,14H,1-2,6-7,13H2
InChIKeyUYXWKZQWUAUFRF-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.96
Rot. Bonds6

About 4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide

4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide (PubChem CID 106083654) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
PubChem CID106083654
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC Name4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C10H14ClFN2O2S/c11-8-4-3-5-9(12)10(8)14-17(15,16)7-2-1-6-13/h3-5,14H,1-2,6-7,13H2
InChIKeyUYXWKZQWUAUFRF-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.96
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-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide
CID 114141795
1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide
CID 106083603
4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
CID 61456563
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
CID 107602659
3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide
CID 54944840
N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706
N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 120583362
3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide
CID 103094092
5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide
CID 106083674
4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide (CID 106083654) is 4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide is NCCCCS(=O)(=O)Nc1c(F)cccc1Cl.
What is the InChIKey of 4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide?
The InChIKey is UYXWKZQWUAUFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c11-8-4-3-5-9(12)10(8)14-17(15,16)7-2-1-6-13/h3-5,14H,1-2,6-7,13H2.
What are the key properties of 4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide?
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide has a molecular weight of 280.75 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 106083654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).