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

C13H13FN2O3S — CID 62112648

IUPAC4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine
SMILESCOc1ccc(CS(=O)(=O)c2ccncc2N)cc1F
InChIInChI=1S/C13H13FN2O3S/c1-19-12-3-2-9(6-10(12)14)8-20(17,18)13-4-5-16-7-11(13)15/h2-7H,8,15H2,1H3
InChIKeyNIABVCSMXZGRCL-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.79
Rot. Bonds4

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

4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine (PubChem CID 62112648) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine
PubChem CID62112648
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine
SMILESCOc1ccc(CS(=O)(=O)c2ccncc2N)cc1F
InChIInChI=1S/C13H13FN2O3S/c1-19-12-3-2-9(6-10(12)14)8-20(17,18)13-4-5-16-7-11(13)15/h2-7H,8,15H2,1H3
InChIKeyNIABVCSMXZGRCL-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine (CID 62112648) is 4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine is COc1ccc(CS(=O)(=O)c2ccncc2N)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine?
The InChIKey is NIABVCSMXZGRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-19-12-3-2-9(6-10(12)14)8-20(17,18)13-4-5-16-7-11(13)15/h2-7H,8,15H2,1H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine?
4-[(3-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 4-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine is sourced from PubChem (CID 62112648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).