N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide

C14H16FN3O2S — CID 82013705

IUPACN-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide
SMILESNCc1cc(F)ccc1NS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C14H16FN3O2S/c15-13-1-2-14(12(9-13)10-16)18-21(19,20)8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,10,16H2
InChIKeyZEVVFCWLYSUEOM-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.66
Rot. Bonds6

About N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide

N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide (PubChem CID 82013705) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide
PubChem CID82013705
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide
SMILESNCc1cc(F)ccc1NS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C14H16FN3O2S/c15-13-1-2-14(12(9-13)10-16)18-21(19,20)8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,10,16H2
InChIKeyZEVVFCWLYSUEOM-UHFFFAOYSA-N
XLogP1.66
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 82013391
N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
CID 78965166
N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
CID 82014016
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 60890757
N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
CID 107796662
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 114052143
N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide
CID 113414890
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673847
[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 63289557
N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107583973

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide (CID 82013705) is N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide is NCc1cc(F)ccc1NS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide?
The InChIKey is ZEVVFCWLYSUEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-13-1-2-14(12(9-13)10-16)18-21(19,20)8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,10,16H2.
What are the key properties of N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide?
N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 82013705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).