2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine

C13H13FN2O3S — CID 102878458

IUPAC2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine
SMILESCOc1ccc(CS(=O)(=O)c2ncccc2N)c(F)c1
InChIInChI=1S/C13H13FN2O3S/c1-19-10-5-4-9(11(14)7-10)8-20(17,18)13-12(15)3-2-6-16-13/h2-7H,8,15H2,1H3
InChIKeyQNDZLXHAFBEVJV-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.79
Rot. Bonds4

About 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine

2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine (PubChem CID 102878458) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine
PubChem CID102878458
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine
SMILESCOc1ccc(CS(=O)(=O)c2ncccc2N)c(F)c1
InChIInChI=1S/C13H13FN2O3S/c1-19-10-5-4-9(11(14)7-10)8-20(17,18)13-12(15)3-2-6-16-13/h2-7H,8,15H2,1H3
InChIKeyQNDZLXHAFBEVJV-UHFFFAOYSA-N
XLogP1.79
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline
CID 102878450
3-bromo-4-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline
CID 102880035
3-amino-N-(2-chloro-5-methoxyphenyl)pyridine-2-sulfonamide
CID 103305037
3-(2-fluoro-4-methoxyphenyl)-2-methylpyridine
CID 118448916
2-(4-methoxybutylsulfonyl)pyridin-3-amine
CID 104648972
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282
3-amino-N-(2,6-difluorophenyl)pyridine-2-sulfonamide
CID 103304250
2-(thiophen-3-ylmethylsulfonyl)pyridin-3-amine
CID 61369370
1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
CID 130132950
2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine
CID 61481273
[3-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697383
3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
CID 103303676

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine?
The IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine (CID 102878458) is 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine.
What is the SMILES notation for 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine?
The canonical SMILES for 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine is COc1ccc(CS(=O)(=O)c2ncccc2N)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine?
The InChIKey is QNDZLXHAFBEVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-19-10-5-4-9(11(14)7-10)8-20(17,18)13-12(15)3-2-6-16-13/h2-7H,8,15H2,1H3.
What are the key properties of 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine?
2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine has a molecular weight of 296.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine is sourced from PubChem (CID 102878458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).