diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium

C12H20FN2O2S+ — CID 2161438

IUPACdiethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
SMILESCC[NH+](CC)CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3/p+1
InChIKeyDWACGKNOPVYPHQ-UHFFFAOYSA-O
MW275.37 g/mol
LogP0.03
Rot. Bonds7

About diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium

diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium (PubChem CID 2161438) has the molecular formula C12H20FN2O2S+ and a molecular weight of 275.37 g/mol. Its IUPAC name is diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
PubChem CID2161438
Molecular FormulaC12H20FN2O2S+
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Namediethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
SMILESCC[NH+](CC)CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3/p+1
InChIKeyDWACGKNOPVYPHQ-UHFFFAOYSA-O
XLogP0.03
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103461134
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540391
N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
CID 106154282
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 16890415
N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 115638756
diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
CID 8511849
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide
CID 3863839
N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119385406
2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 7850818
2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350084

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium?
The IUPAC name of diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium (CID 2161438) is diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium is CC[NH+](CC)CCNS(=O)(=O)c1ccccc1F.
What is the InChIKey of diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium?
The InChIKey is DWACGKNOPVYPHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3/p+1.
What are the key properties of diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium?
diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium has a molecular weight of 275.37 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium is sourced from PubChem (CID 2161438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).