N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide

C13H20FN3O2S — CID 43731820

IUPACN-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide
SMILESCN1CCC(Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C13H20FN3O2S/c1-17-7-5-10(6-8-17)15-11-3-4-12(14)13(9-11)16-20(2,18)19/h3-4,9-10,15-16H,5-8H2,1-2H3
InChIKeyASYUPYCSJQPEMF-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.70
Rot. Bonds4

About N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide

N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide (PubChem CID 43731820) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide
PubChem CID43731820
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC NameN-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide
SMILESCN1CCC(Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C13H20FN3O2S/c1-17-7-5-10(6-8-17)15-11-3-4-12(14)13(9-11)16-20(2,18)19/h3-4,9-10,15-16H,5-8H2,1-2H3
InChIKeyASYUPYCSJQPEMF-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide (CID 43731820) is N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide is CN1CCC(Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1.
What is the InChIKey of N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide?
The InChIKey is ASYUPYCSJQPEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-17-7-5-10(6-8-17)15-11-3-4-12(14)13(9-11)16-20(2,18)19/h3-4,9-10,15-16H,5-8H2,1-2H3.
What are the key properties of N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide?
N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(1-methylpiperidin-4-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 43731820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).