1-cyclohexyl-3-(trifluoromethylsulfonyl)urea

C8H13F3N2O3S — CID 155170680

IUPAC1-cyclohexyl-3-(trifluoromethylsulfonyl)urea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)17(15,16)13-7(14)12-6-4-2-1-3-5-6/h6H,1-5H2,(H2,12,13,14)
InChIKeyCEUYIIHTTWXKNA-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.47
Rot. Bonds2

About 1-cyclohexyl-3-(trifluoromethylsulfonyl)urea

1-cyclohexyl-3-(trifluoromethylsulfonyl)urea (PubChem CID 155170680) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-cyclohexyl-3-(trifluoromethylsulfonyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(trifluoromethylsulfonyl)urea
PubChem CID155170680
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name1-cyclohexyl-3-(trifluoromethylsulfonyl)urea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)17(15,16)13-7(14)12-6-4-2-1-3-5-6/h6H,1-5H2,(H2,12,13,14)
InChIKeyCEUYIIHTTWXKNA-UHFFFAOYSA-N
XLogP1.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(trifluoromethylsulfonyl)urea?
The IUPAC name of 1-cyclohexyl-3-(trifluoromethylsulfonyl)urea (CID 155170680) is 1-cyclohexyl-3-(trifluoromethylsulfonyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(trifluoromethylsulfonyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(trifluoromethylsulfonyl)urea is O=C(NC1CCCCC1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-3-(trifluoromethylsulfonyl)urea?
The InChIKey is CEUYIIHTTWXKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c9-8(10,11)17(15,16)13-7(14)12-6-4-2-1-3-5-6/h6H,1-5H2,(H2,12,13,14).
What are the key properties of 1-cyclohexyl-3-(trifluoromethylsulfonyl)urea?
1-cyclohexyl-3-(trifluoromethylsulfonyl)urea has a molecular weight of 274.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(trifluoromethylsulfonyl)urea is sourced from PubChem (CID 155170680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).