1-(benzenesulfonyl)-1-phenoxyurea

C13H12N2O4S — CID 54187275

IUPAC1-(benzenesulfonyl)-1-phenoxyurea
SMILESNC(=O)N(Oc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12N2O4S/c14-13(16)15(19-11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H,(H2,14,16)
InChIKeyPFYIBLTVYBABMV-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.75
Rot. Bonds4

About 1-(benzenesulfonyl)-1-phenoxyurea

1-(benzenesulfonyl)-1-phenoxyurea (PubChem CID 54187275) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-1-phenoxyurea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-1-phenoxyurea
PubChem CID54187275
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name1-(benzenesulfonyl)-1-phenoxyurea
SMILESNC(=O)N(Oc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12N2O4S/c14-13(16)15(19-11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H,(H2,14,16)
InChIKeyPFYIBLTVYBABMV-UHFFFAOYSA-N
XLogP1.75
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-1-phenoxyurea?
The IUPAC name of 1-(benzenesulfonyl)-1-phenoxyurea (CID 54187275) is 1-(benzenesulfonyl)-1-phenoxyurea.
What is the SMILES notation for 1-(benzenesulfonyl)-1-phenoxyurea?
The canonical SMILES for 1-(benzenesulfonyl)-1-phenoxyurea is NC(=O)N(Oc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-1-phenoxyurea?
The InChIKey is PFYIBLTVYBABMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c14-13(16)15(19-11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H,(H2,14,16).
What are the key properties of 1-(benzenesulfonyl)-1-phenoxyurea?
1-(benzenesulfonyl)-1-phenoxyurea has a molecular weight of 292.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-1-phenoxyurea is sourced from PubChem (CID 54187275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).