2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide

C11H17FN2O2S — CID 39360668

IUPAC2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESCCN(Cc1ccc(F)cc1)S(=O)(=O)CCN
InChIInChI=1S/C11H17FN2O2S/c1-2-14(17(15,16)8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9,13H2,1H3
InChIKeyKGQVZCKOWOCFKE-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.94
Rot. Bonds6

About 2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide

2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide (PubChem CID 39360668) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
PubChem CID39360668
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESCCN(Cc1ccc(F)cc1)S(=O)(=O)CCN
InChIInChI=1S/C11H17FN2O2S/c1-2-14(17(15,16)8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9,13H2,1H3
InChIKeyKGQVZCKOWOCFKE-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 43458794
N-[(4-aminophenyl)methyl]-N-ethyl-2-methylsulfonylethanesulfonamide
CID 63245077
3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 56782564
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 54877329
N-[(4-aminophenyl)methyl]-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103520822
4-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylbutane-1-sulfonamide
CID 116815368
2-amino-N-(2,4-difluorophenyl)-N-ethylethanesulfonamide
CID 28794316
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
3-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]-2-methylpropanoic acid
CID 62826691
N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 43458785
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate
CID 61012542

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide (CID 39360668) is 2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide is CCN(Cc1ccc(F)cc1)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The InChIKey is KGQVZCKOWOCFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-2-14(17(15,16)8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9,13H2,1H3.
What are the key properties of 2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 39360668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).