1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea

C19H19F6N5O4S — CID 90100975

IUPAC1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NCC(F)(F)F)cnc1N1CCOCC1
InChIInChI=1S/C19H19F6N5O4S/c20-18(21,22)11-27-35(32,33)14-9-15(16(26-10-14)30-4-6-34-7-5-30)29-17(31)28-13-3-1-2-12(8-13)19(23,24)25/h1-3,8-10,27H,4-7,11H2,(H2,28,29,31)
InChIKeyCDJYPPABEITDRW-UHFFFAOYSA-N
MW527.45 g/mol
LogP3.42
Rot. Bonds6

About 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 90100975) has the molecular formula C19H19F6N5O4S and a molecular weight of 527.45 g/mol. Its IUPAC name is 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID90100975
Molecular FormulaC19H19F6N5O4S
Molecular Weight527.45 g/mol
Exact Mass527.11
IUPAC Name1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NCC(F)(F)F)cnc1N1CCOCC1
InChIInChI=1S/C19H19F6N5O4S/c20-18(21,22)11-27-35(32,33)14-9-15(16(26-10-14)30-4-6-34-7-5-30)29-17(31)28-13-3-1-2-12(8-13)19(23,24)25/h1-3,8-10,27H,4-7,11H2,(H2,28,29,31)
InChIKeyCDJYPPABEITDRW-UHFFFAOYSA-N
XLogP3.42
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.45
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 90100975) is 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NCC(F)(F)F)cnc1N1CCOCC1.
What is the InChIKey of 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is CDJYPPABEITDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N5O4S/c20-18(21,22)11-27-35(32,33)14-9-15(16(26-10-14)30-4-6-34-7-5-30)29-17(31)28-13-3-1-2-12(8-13)19(23,24)25/h1-3,8-10,27H,4-7,11H2,(H2,28,29,31).
What are the key properties of 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 527.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-yl-5-(2,2,2-trifluoroethylsulfamoyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90100975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).