1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea

C15H22N2O4S — CID 2355038

IUPAC1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H22N2O4S/c1-2-22(20,21)12-8-9-14(18)13(10-12)17-15(19)16-11-6-4-3-5-7-11/h8-11,18H,2-7H2,1H3,(H2,16,17,19)
InChIKeyOYRXOOZGKGPWTE-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.64
Rot. Bonds4

About 1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea

1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea (PubChem CID 2355038) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea
PubChem CID2355038
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H22N2O4S/c1-2-22(20,21)12-8-9-14(18)13(10-12)17-15(19)16-11-6-4-3-5-7-11/h8-11,18H,2-7H2,1H3,(H2,16,17,19)
InChIKeyOYRXOOZGKGPWTE-UHFFFAOYSA-N
XLogP2.64
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea (CID 2355038) is 1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea is CCS(=O)(=O)c1ccc(O)c(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea?
The InChIKey is OYRXOOZGKGPWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-22(20,21)12-8-9-14(18)13(10-12)17-15(19)16-11-6-4-3-5-7-11/h8-11,18H,2-7H2,1H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea?
1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea has a molecular weight of 326.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea is sourced from PubChem (CID 2355038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).