A36

N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide

Created:	2012-08-24
Last modified:	2014-04-16

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1 entries where A36 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	6

2D diagram of A36

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Chemical Component Summary
Name	N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide
Systematic Name (OpenEye OEToolkits)	N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide
Formula	C₁₃ H₂₁ F N₂ O₂ S
Molecular Weight	288.381
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(cc1)CS(=O)(=O)NCCN(CC)CC
SMILES	CACTVS	3.370	CCN(CC)CCN[S](=O)(=O)Cc1ccc(F)cc1
SMILES	OpenEye OEToolkits	1.7.6	CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F
Canonical SMILES	CACTVS	3.370	CCN(CC)CCN[S](=O)(=O)Cc1ccc(F)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F
InChI	InChI	1.03	InChI=1S/C13H21FN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKey	InChI	1.03	UKOZIEJMLUYTMK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71677772
ChEMBL	CHEMBL3087807

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