4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine

C19H18ClF2N5O3S — CID 177270251

IUPAC4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine
SMILESCCNS(=O)(=O)Nc1nccc(Oc2cncc(Nc3ccc(Cl)cc3F)c2C)c1F
InChIInChI=1S/C19H18ClF2N5O3S/c1-3-25-31(28,29)27-19-18(22)16(6-7-24-19)30-17-10-23-9-15(11(17)2)26-14-5-4-12(20)8-13(14)21/h4-10,25-26H,3H2,1-2H3,(H,24,27)
InChIKeyJUQHMYFVLBBSRU-UHFFFAOYSA-N
MW469.90 g/mol
LogP4.52
Rot. Bonds8

About 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine

4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine (PubChem CID 177270251) has the molecular formula C19H18ClF2N5O3S and a molecular weight of 469.90 g/mol. Its IUPAC name is 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine
PubChem CID177270251
Molecular FormulaC19H18ClF2N5O3S
Molecular Weight469.90 g/mol
Exact Mass469.08
IUPAC Name4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine
SMILESCCNS(=O)(=O)Nc1nccc(Oc2cncc(Nc3ccc(Cl)cc3F)c2C)c1F
InChIInChI=1S/C19H18ClF2N5O3S/c1-3-25-31(28,29)27-19-18(22)16(6-7-24-19)30-17-10-23-9-15(11(17)2)26-14-5-4-12(20)8-13(14)21/h4-10,25-26H,3H2,1-2H3,(H,24,27)
InChIKeyJUQHMYFVLBBSRU-UHFFFAOYSA-N
XLogP4.52
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine?
The IUPAC name of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine (CID 177270251) is 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine is CCNS(=O)(=O)Nc1nccc(Oc2cncc(Nc3ccc(Cl)cc3F)c2C)c1F.
What is the InChIKey of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine?
The InChIKey is JUQHMYFVLBBSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N5O3S/c1-3-25-31(28,29)27-19-18(22)16(6-7-24-19)30-17-10-23-9-15(11(17)2)26-14-5-4-12(20)8-13(14)21/h4-10,25-26H,3H2,1-2H3,(H,24,27).
What are the key properties of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine?
4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine has a molecular weight of 469.90 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 177270251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).