N-hydroxy-4-phenothiazin-10-ylbenzamide

C19H14N2O2S — CID 155515638

IUPACN-hydroxy-4-phenothiazin-10-ylbenzamide
SMILESO=C(NO)c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C19H14N2O2S/c22-19(20-23)13-9-11-14(12-10-13)21-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)21/h1-12,23H,(H,20,22)
InChIKeyUSSSSHLQPDQGMW-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.74
Rot. Bonds2

About N-hydroxy-4-phenothiazin-10-ylbenzamide

N-hydroxy-4-phenothiazin-10-ylbenzamide (PubChem CID 155515638) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-hydroxy-4-phenothiazin-10-ylbenzamide.

Molecular Properties

Compound NameN-hydroxy-4-phenothiazin-10-ylbenzamide
PubChem CID155515638
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-hydroxy-4-phenothiazin-10-ylbenzamide
SMILESO=C(NO)c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C19H14N2O2S/c22-19(20-23)13-9-11-14(12-10-13)21-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)21/h1-12,23H,(H,20,22)
InChIKeyUSSSSHLQPDQGMW-UHFFFAOYSA-N
XLogP4.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-phenothiazin-10-ylbenzamide?
The IUPAC name of N-hydroxy-4-phenothiazin-10-ylbenzamide (CID 155515638) is N-hydroxy-4-phenothiazin-10-ylbenzamide.
What is the SMILES notation for N-hydroxy-4-phenothiazin-10-ylbenzamide?
The canonical SMILES for N-hydroxy-4-phenothiazin-10-ylbenzamide is O=C(NO)c1ccc(N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N-hydroxy-4-phenothiazin-10-ylbenzamide?
The InChIKey is USSSSHLQPDQGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-19(20-23)13-9-11-14(12-10-13)21-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)21/h1-12,23H,(H,20,22).
What are the key properties of N-hydroxy-4-phenothiazin-10-ylbenzamide?
N-hydroxy-4-phenothiazin-10-ylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-phenothiazin-10-ylbenzamide is sourced from PubChem (CID 155515638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).