N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide

C14H16FN3O2S — CID 83119346

IUPACN-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccccc1NS(C)(=O)=O)c1ccc(F)cn1
InChIInChI=1S/C14H16FN3O2S/c1-10(12-8-7-11(15)9-16-12)17-13-5-3-4-6-14(13)18-21(2,19)20/h3-10,17-18H,1-2H3
InChIKeyUFFPGZOUXDYZCN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.77
Rot. Bonds5

About N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide

N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide (PubChem CID 83119346) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide
PubChem CID83119346
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccccc1NS(C)(=O)=O)c1ccc(F)cn1
InChIInChI=1S/C14H16FN3O2S/c1-10(12-8-7-11(15)9-16-12)17-13-5-3-4-6-14(13)18-21(2,19)20/h3-10,17-18H,1-2H3
InChIKeyUFFPGZOUXDYZCN-UHFFFAOYSA-N
XLogP2.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118159
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline
CID 83119202
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 83119087
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
2,5-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117985
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine
CID 83119801
N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 54881791
4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline
CID 83117435
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide
CID 43744105

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide (CID 83119346) is N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide is CC(Nc1ccccc1NS(C)(=O)=O)c1ccc(F)cn1.
What is the InChIKey of N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is UFFPGZOUXDYZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-10(12-8-7-11(15)9-16-12)17-13-5-3-4-6-14(13)18-21(2,19)20/h3-10,17-18H,1-2H3.
What are the key properties of N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide?
N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 83119346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).