1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea

C19H24FN5O4S — CID 56683872

IUPAC1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](Oc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C1
InChIInChI=1S/C19H24FN5O4S/c1-24(2)30(27,28)25-8-4-6-17(13-25)29-18-10-14(20)9-16(11-18)23-19(26)22-15-5-3-7-21-12-15/h3,5,7,9-12,17H,4,6,8,13H2,1-2H3,(H2,22,23,26)/t17-/m1/s1
InChIKeyBHGOQLGLRLNDFG-QGZVFWFLSA-N
MW437.50 g/mol
LogP2.51
Rot. Bonds6

About 1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea

1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea (PubChem CID 56683872) has the molecular formula C19H24FN5O4S and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea
PubChem CID56683872
Molecular FormulaC19H24FN5O4S
Molecular Weight437.50 g/mol
Exact Mass437.15
IUPAC Name1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](Oc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C1
InChIInChI=1S/C19H24FN5O4S/c1-24(2)30(27,28)25-8-4-6-17(13-25)29-18-10-14(20)9-16(11-18)23-19(26)22-15-5-3-7-21-12-15/h3,5,7,9-12,17H,4,6,8,13H2,1-2H3,(H2,22,23,26)/t17-/m1/s1
InChIKeyBHGOQLGLRLNDFG-QGZVFWFLSA-N
XLogP2.51
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea (CID 56683872) is 1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea is CN(C)S(=O)(=O)N1CCC[C@@H](Oc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C1.
What is the InChIKey of 1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea?
The InChIKey is BHGOQLGLRLNDFG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24FN5O4S/c1-24(2)30(27,28)25-8-4-6-17(13-25)29-18-10-14(20)9-16(11-18)23-19(26)22-15-5-3-7-21-12-15/h3,5,7,9-12,17H,4,6,8,13H2,1-2H3,(H2,22,23,26)/t17-/m1/s1.
What are the key properties of 1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea?
1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea has a molecular weight of 437.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 56683872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).