1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea

C20H22F3N3O3S — CID 137483114

IUPAC1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
SMILESO=C(Nc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1)NC1CCCC1
InChIInChI=1S/C20H22F3N3O3S/c21-20(22,23)13-24-30(28,29)16-10-11-17(14-6-2-1-3-7-14)18(12-16)26-19(27)25-15-8-4-5-9-15/h1-3,6-7,10-12,15,24H,4-5,8-9,13H2,(H2,25,26,27)
InChIKeyASZAFYOSWTYTNY-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.26
Rot. Bonds6

About 1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea

1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea (PubChem CID 137483114) has the molecular formula C20H22F3N3O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
PubChem CID137483114
Molecular FormulaC20H22F3N3O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC Name1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
SMILESO=C(Nc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1)NC1CCCC1
InChIInChI=1S/C20H22F3N3O3S/c21-20(22,23)13-24-30(28,29)16-10-11-17(14-6-2-1-3-7-14)18(12-16)26-19(27)25-15-8-4-5-9-15/h1-3,6-7,10-12,15,24H,4-5,8-9,13H2,(H2,25,26,27)
InChIKeyASZAFYOSWTYTNY-UHFFFAOYSA-N
XLogP4.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea (CID 137483114) is 1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea is O=C(Nc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea?
The InChIKey is ASZAFYOSWTYTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3S/c21-20(22,23)13-24-30(28,29)16-10-11-17(14-6-2-1-3-7-14)18(12-16)26-19(27)25-15-8-4-5-9-15/h1-3,6-7,10-12,15,24H,4-5,8-9,13H2,(H2,25,26,27).
What are the key properties of 1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea?
1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea has a molecular weight of 441.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea is sourced from PubChem (CID 137483114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).