N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline

C15H17FN2O2S — CID 115938417

IUPACN-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
SMILESCCC(Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cn1
InChIInChI=1S/C15H17FN2O2S/c1-3-14(15-9-4-11(16)10-17-15)18-12-5-7-13(8-6-12)21(2,19)20/h4-10,14,18H,3H2,1-2H3
InChIKeyYAISTGUGIRZAFM-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline

N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline (PubChem CID 115938417) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
PubChem CID115938417
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
SMILESCCC(Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cn1
InChIInChI=1S/C15H17FN2O2S/c1-3-14(15-9-4-11(16)10-17-15)18-12-5-7-13(8-6-12)21(2,19)20/h4-10,14,18H,3H2,1-2H3
InChIKeyYAISTGUGIRZAFM-UHFFFAOYSA-N
XLogP3.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
CID 112582832
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine
CID 83119502
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115938792
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
CID 115938694
5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol
CID 115938609
[3-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]methanol
CID 112582984
2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol
CID 110011606
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline (CID 115938417) is N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline is CCC(Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline?
The InChIKey is YAISTGUGIRZAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-14(15-9-4-11(16)10-17-15)18-12-5-7-13(8-6-12)21(2,19)20/h4-10,14,18H,3H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline?
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline has a molecular weight of 308.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline is sourced from PubChem (CID 115938417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).