1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea

C14H17F3N2O3S — CID 154259938

IUPAC1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)10-5-4-8-12(9-10)23(21,22)19-13(20)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,18,19,20)
InChIKeyNCSSCUXXURZTOB-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.03
Rot. Bonds3

About 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea

1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea (PubChem CID 154259938) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
PubChem CID154259938
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)10-5-4-8-12(9-10)23(21,22)19-13(20)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,18,19,20)
InChIKeyNCSSCUXXURZTOB-UHFFFAOYSA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 25069817
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
CID 163441997
1-cyclohexyl-3-[(3R)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxyurea
CID 58235361
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56764333
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide
CID 158422763
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 141202562
1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
CID 163582481
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea (CID 154259938) is 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea is O=C(NC1CCCCC1)NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea?
The InChIKey is NCSSCUXXURZTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c15-14(16,17)10-5-4-8-12(9-10)23(21,22)19-13(20)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea?
1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea has a molecular weight of 350.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea is sourced from PubChem (CID 154259938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).