N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane

C12H21FN2O2S — CID 91216358

IUPACN-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
SMILESCC.CCN(CCN)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H15FN2O2S.C2H6/c1-2-13(8-7-12)16(14,15)10-6-4-3-5-9(10)11;1-2/h3-6H,2,7-8,12H2,1H3;1-2H3
InChIKeySGMRENSRBBBNJK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.82
Rot. Bonds5

About N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane

N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane (PubChem CID 91216358) has the molecular formula C12H21FN2O2S and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
PubChem CID91216358
Molecular FormulaC12H21FN2O2S
Molecular Weight276.38 g/mol
Exact Mass276.13
IUPAC NameN-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
SMILESCC.CCN(CCN)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H15FN2O2S.C2H6/c1-2-13(8-7-12)16(14,15)10-6-4-3-5-9(10)11;1-2/h3-6H,2,7-8,12H2,1H3;1-2H3
InChIKeySGMRENSRBBBNJK-UHFFFAOYSA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 80675750
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 54987311
methyl 3-[ethyl-(2-fluorophenyl)sulfonylamino]propanoate
CID 51891975
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 115279924
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
CID 61384024
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 61349925
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755
2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61013839

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane (CID 91216358) is N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane is CC.CCN(CCN)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane?
The InChIKey is SGMRENSRBBBNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S.C2H6/c1-2-13(8-7-12)16(14,15)10-6-4-3-5-9(10)11;1-2/h3-6H,2,7-8,12H2,1H3;1-2H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane?
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane has a molecular weight of 276.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane is sourced from PubChem (CID 91216358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).