4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide

C20H15ClN2O2S — CID 155546107

IUPAC4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H15ClN2O2S/c21-15-9-10-19-17(11-15)23(16-3-1-2-4-18(16)26-19)12-13-5-7-14(8-6-13)20(24)22-25/h1-11,25H,12H2,(H,22,24)
InChIKeyMTMFVZNBGMTGHQ-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.26
Rot. Bonds3

About 4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide

4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide (PubChem CID 155546107) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide
PubChem CID155546107
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Name4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H15ClN2O2S/c21-15-9-10-19-17(11-15)23(16-3-1-2-4-18(16)26-19)12-13-5-7-14(8-6-13)20(24)22-25/h1-11,25H,12H2,(H,22,24)
InChIKeyMTMFVZNBGMTGHQ-UHFFFAOYSA-N
XLogP5.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.26
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 4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide (CID 155546107) is 4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc32)cc1.
What is the InChIKey of 4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide?
The InChIKey is MTMFVZNBGMTGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c21-15-9-10-19-17(11-15)23(16-3-1-2-4-18(16)26-19)12-13-5-7-14(8-6-13)20(24)22-25/h1-11,25H,12H2,(H,22,24).
What are the key properties of 4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide?
4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide has a molecular weight of 382.87 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155546107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).