4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine

C19H17ClF2N4O2S — CID 174161807

IUPAC4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine
SMILESCNS(=O)(=O)Nc1nccc(Cc2cncc(-c3cccc(Cl)c3F)c2C)c1F
InChIInChI=1S/C19H17ClF2N4O2S/c1-11-13(9-24-10-15(11)14-4-3-5-16(20)18(14)22)8-12-6-7-25-19(17(12)21)26-29(27,28)23-2/h3-7,9-10,23H,8H2,1-2H3,(H,25,26)
InChIKeyCZIWBHCWNIJHCA-UHFFFAOYSA-N
MW438.89 g/mol
LogP3.85
Rot. Bonds6

About 4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine

4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine (PubChem CID 174161807) has the molecular formula C19H17ClF2N4O2S and a molecular weight of 438.89 g/mol. Its IUPAC name is 4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine
PubChem CID174161807
Molecular FormulaC19H17ClF2N4O2S
Molecular Weight438.89 g/mol
Exact Mass438.07
IUPAC Name4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine
SMILESCNS(=O)(=O)Nc1nccc(Cc2cncc(-c3cccc(Cl)c3F)c2C)c1F
InChIInChI=1S/C19H17ClF2N4O2S/c1-11-13(9-24-10-15(11)14-4-3-5-16(20)18(14)22)8-12-6-7-25-19(17(12)21)26-29(27,28)23-2/h3-7,9-10,23H,8H2,1-2H3,(H,25,26)
InChIKeyCZIWBHCWNIJHCA-UHFFFAOYSA-N
XLogP3.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine?
The IUPAC name of 4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine (CID 174161807) is 4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine.
What is the SMILES notation for 4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine?
The canonical SMILES for 4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine is CNS(=O)(=O)Nc1nccc(Cc2cncc(-c3cccc(Cl)c3F)c2C)c1F.
What is the InChIKey of 4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine?
The InChIKey is CZIWBHCWNIJHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O2S/c1-11-13(9-24-10-15(11)14-4-3-5-16(20)18(14)22)8-12-6-7-25-19(17(12)21)26-29(27,28)23-2/h3-7,9-10,23H,8H2,1-2H3,(H,25,26).
What are the key properties of 4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine?
4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine has a molecular weight of 438.89 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine is sourced from PubChem (CID 174161807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).