1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea

C15H16N2O4S — CID 733062

IUPAC1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H16N2O4S/c1-2-22(20,21)12-8-9-14(18)13(10-12)17-15(19)16-11-6-4-3-5-7-11/h3-10,18H,2H2,1H3,(H2,16,17,19)
InChIKeyKOYOFHUJVPVIPH-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.83
Rot. Bonds4

About 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea

1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea (PubChem CID 733062) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea
PubChem CID733062
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H16N2O4S/c1-2-22(20,21)12-8-9-14(18)13(10-12)17-15(19)16-11-6-4-3-5-7-11/h3-10,18H,2H2,1H3,(H2,16,17,19)
InChIKeyKOYOFHUJVPVIPH-UHFFFAOYSA-N
XLogP2.83
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.83
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-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea?
The IUPAC name of 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea (CID 733062) is 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea.
What is the SMILES notation for 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea?
The canonical SMILES for 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea is CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea?
The InChIKey is KOYOFHUJVPVIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-22(20,21)12-8-9-14(18)13(10-12)17-15(19)16-11-6-4-3-5-7-11/h3-10,18H,2H2,1H3,(H2,16,17,19).
What are the key properties of 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea?
1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea has a molecular weight of 320.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea is sourced from PubChem (CID 733062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).