1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea

C13H17FN2O3S — CID 172696967

IUPAC1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKeyCLHDULLHPRPMKK-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.15
Rot. Bonds3

About 1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea

1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea (PubChem CID 172696967) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea
PubChem CID172696967
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKeyCLHDULLHPRPMKK-UHFFFAOYSA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea (CID 172696967) is 1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea is O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea?
The InChIKey is CLHDULLHPRPMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea?
1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea has a molecular weight of 300.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-fluorophenyl)sulfonylurea is sourced from PubChem (CID 172696967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).