(1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea

C18H15N3O4S — CID 134095397

IUPAC(1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
SMILESO=C(/N=c1/ccn(O)c(S(=O)(=O)c2ccccc2)c1)Nc1ccccc1
InChIInChI=1S/C18H15N3O4S/c22-18(19-14-7-3-1-4-8-14)20-15-11-12-21(23)17(13-15)26(24,25)16-9-5-2-6-10-16/h1-13,23H,(H,19,22)/b20-15-
InChIKeyJZRDZHIJJXGKPQ-HKWRFOASSA-N
MW369.40 g/mol
LogP2.69
Rot. Bonds3

About (1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea

(1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea (PubChem CID 134095397) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is (1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea.

Molecular Properties

Compound Name(1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
PubChem CID134095397
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name(1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
SMILESO=C(/N=c1/ccn(O)c(S(=O)(=O)c2ccccc2)c1)Nc1ccccc1
InChIInChI=1S/C18H15N3O4S/c22-18(19-14-7-3-1-4-8-14)20-15-11-12-21(23)17(13-15)26(24,25)16-9-5-2-6-10-16/h1-13,23H,(H,19,22)/b20-15-
InChIKeyJZRDZHIJJXGKPQ-HKWRFOASSA-N
XLogP2.69
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea?
The IUPAC name of (1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea (CID 134095397) is (1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea.
What is the SMILES notation for (1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea?
The canonical SMILES for (1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea is O=C(/N=c1/ccn(O)c(S(=O)(=O)c2ccccc2)c1)Nc1ccccc1.
What is the InChIKey of (1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea?
The InChIKey is JZRDZHIJJXGKPQ-HKWRFOASSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-18(19-14-7-3-1-4-8-14)20-15-11-12-21(23)17(13-15)26(24,25)16-9-5-2-6-10-16/h1-13,23H,(H,19,22)/b20-15-.
What are the key properties of (1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea?
(1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea has a molecular weight of 369.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea is sourced from PubChem (CID 134095397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).