diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride

C13H22ClFN2O2S — CID 20787030

IUPACdiethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride
SMILESCC[NH+](CC)CCCNS(=O)(=O)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C13H21FN2O2S.ClH/c1-3-16(4-2)11-5-10-15-19(17,18)13-8-6-12(14)7-9-13;/h6-9,15H,3-5,10-11H2,1-2H3;1H
InChIKeyQNFQLDITSFYFBD-UHFFFAOYSA-N
MW324.85 g/mol
LogP-2.58
Rot. Bonds8

About diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride

diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride (PubChem CID 20787030) has the molecular formula C13H22ClFN2O2S and a molecular weight of 324.85 g/mol. Its IUPAC name is diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride
PubChem CID20787030
Molecular FormulaC13H22ClFN2O2S
Molecular Weight324.85 g/mol
Exact Mass324.11
IUPAC Namediethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride
SMILESCC[NH+](CC)CCCNS(=O)(=O)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C13H21FN2O2S.ClH/c1-3-16(4-2)11-5-10-15-19(17,18)13-8-6-12(14)7-9-13;/h6-9,15H,3-5,10-11H2,1-2H3;1H
InChIKeyQNFQLDITSFYFBD-UHFFFAOYSA-N
XLogP-2.58
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 5-2.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium
CID 9263864
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
N-(3-cyanopropyl)-4-fluorobenzenesulfonamide
CID 62668481
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115631989
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065646
N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide
CID 60640045
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride?
The IUPAC name of diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride (CID 20787030) is diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride.
What is the SMILES notation for diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride?
The canonical SMILES for diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride is CC[NH+](CC)CCCNS(=O)(=O)c1ccc(F)cc1.[Cl-].
What is the InChIKey of diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride?
The InChIKey is QNFQLDITSFYFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S.ClH/c1-3-16(4-2)11-5-10-15-19(17,18)13-8-6-12(14)7-9-13;/h6-9,15H,3-5,10-11H2,1-2H3;1H.
What are the key properties of diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride?
diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride has a molecular weight of 324.85 g/mol, XLogP of -2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride is sourced from PubChem (CID 20787030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).