N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide

C17H21FN2O3S — CID 110424688

IUPACN-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCc1ccccc1F)Cc1cccnc1
InChIInChI=1S/C17H21FN2O3S/c1-23-11-12-24(21,22)20(14-15-5-4-9-19-13-15)10-8-16-6-2-3-7-17(16)18/h2-7,9,13H,8,10-12,14H2,1H3
InChIKeyNGGPAKAKADPONE-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.24
Rot. Bonds9

About N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 110424688) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID110424688
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCc1ccccc1F)Cc1cccnc1
InChIInChI=1S/C17H21FN2O3S/c1-23-11-12-24(21,22)20(14-15-5-4-9-19-13-15)10-8-16-6-2-3-7-17(16)18/h2-7,9,13H,8,10-12,14H2,1H3
InChIKeyNGGPAKAKADPONE-UHFFFAOYSA-N
XLogP2.24
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110427013
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110426899
N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110426924
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084948
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 46970356
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110426908
1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
CID 62052978
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 121084962
N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide
CID 113067398
lithium N,N-bis(pyridin-3-ylmethyl)sulfamate
CID 153347507

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 110424688) is N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide is COCCS(=O)(=O)N(CCc1ccccc1F)Cc1cccnc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is NGGPAKAKADPONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c1-23-11-12-24(21,22)20(14-15-5-4-9-19-13-15)10-8-16-6-2-3-7-17(16)18/h2-7,9,13H,8,10-12,14H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 352.43 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 110424688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).