N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide

C14H16FN3O2S — CID 43731864

IUPACN-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide
SMILESCC(Nc1ccc(F)c(NS(C)(=O)=O)c1)c1cccnc1
InChIInChI=1S/C14H16FN3O2S/c1-10(11-4-3-7-16-9-11)17-12-5-6-13(15)14(8-12)18-21(2,19)20/h3-10,17-18H,1-2H3
InChIKeyAICRADRVUSYHBA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.77
Rot. Bonds5

About N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide

N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide (PubChem CID 43731864) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide
PubChem CID43731864
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide
SMILESCC(Nc1ccc(F)c(NS(C)(=O)=O)c1)c1cccnc1
InChIInChI=1S/C14H16FN3O2S/c1-10(11-4-3-7-16-9-11)17-12-5-6-13(15)14(8-12)18-21(2,19)20/h3-10,17-18H,1-2H3
InChIKeyAICRADRVUSYHBA-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

3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
CID 43380580
2-fluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43194891
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
2-fluoro-4-(1-pyridin-3-ylethylamino)benzenecarbothioamide
CID 115367935
2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641118
methyl 4-fluoro-3-(1-pyridin-3-ylethylamino)benzoate
CID 43684479
3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 115377049
N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43731832
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide (CID 43731864) is N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide is CC(Nc1ccc(F)c(NS(C)(=O)=O)c1)c1cccnc1.
What is the InChIKey of N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide?
The InChIKey is AICRADRVUSYHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-10(11-4-3-7-16-9-11)17-12-5-6-13(15)14(8-12)18-21(2,19)20/h3-10,17-18H,1-2H3.
What are the key properties of N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide?
N-[2-fluoro-5-(1-pyridin-3-ylethylamino)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-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43731864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).