5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine

C16H19FN2O2S — CID 90863901

IUPAC5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine
SMILESCCc1cnc(Nc2ccc(S(C)(=O)=O)cc2F)c(C)c1C
InChIInChI=1S/C16H19FN2O2S/c1-5-12-9-18-16(11(3)10(12)2)19-15-7-6-13(8-14(15)17)22(4,20)21/h6-9H,5H2,1-4H3,(H,18,19)
InChIKeyCNADCNIDTARNGB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.55
Rot. Bonds4

About 5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine

5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine (PubChem CID 90863901) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine
PubChem CID90863901
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC Name5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine
SMILESCCc1cnc(Nc2ccc(S(C)(=O)=O)cc2F)c(C)c1C
InChIInChI=1S/C16H19FN2O2S/c1-5-12-9-18-16(11(3)10(12)2)19-15-7-6-13(8-14(15)17)22(4,20)21/h6-9H,5H2,1-4H3,(H,18,19)
InChIKeyCNADCNIDTARNGB-UHFFFAOYSA-N
XLogP3.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66610926
N-(4-Fluorobenzyl)-N-(2-Methylpropyl)-6-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyridine-3-Sulfonamide
CID 86277915
N-(4,6-dimethyl-2-pyridinyl)-4-(2-fluoro-4-methylsulfonylphenyl)piperazine-1-carbothioamide
CID 49853261
US9676721, 32 2-cyano-1-({4-[(3,5-difluorobenzene)sulfonyl]phenyl}methyl)-3-(pyridin-4-yl)guanidine
CID 56929542
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
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CID 44563062
6-[3-(Trifluoromethyl)anilino]pyridine-3-sulfonamide
CID 902005
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CID 10341241
1-(3-Methylpyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 44579758
3-(6-Fluoro-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311562
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CID 54581961

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine?
The IUPAC name of 5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine (CID 90863901) is 5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine.
What is the SMILES notation for 5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine?
The canonical SMILES for 5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine is CCc1cnc(Nc2ccc(S(C)(=O)=O)cc2F)c(C)c1C.
What is the InChIKey of 5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine?
The InChIKey is CNADCNIDTARNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-5-12-9-18-16(11(3)10(12)2)19-15-7-6-13(8-14(15)17)22(4,20)21/h6-9H,5H2,1-4H3,(H,18,19).
What are the key properties of 5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine?
5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine has a molecular weight of 322.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine is sourced from PubChem (CID 90863901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).