10H-phenoxazin-1-yl methanesulfonate

C13H11NO4S — CID 18624470

IUPAC10H-phenoxazin-1-yl methanesulfonate
SMILESCS(=O)(=O)Oc1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C13H11NO4S/c1-19(15,16)18-12-8-4-7-11-13(12)14-9-5-2-3-6-10(9)17-11/h2-8,14H,1H3
InChIKeyZKYQTOCIWJYVKH-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.87
Rot. Bonds2

About 10H-phenoxazin-1-yl methanesulfonate

10H-phenoxazin-1-yl methanesulfonate (PubChem CID 18624470) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 10H-phenoxazin-1-yl methanesulfonate.

Molecular Properties

Compound Name10H-phenoxazin-1-yl methanesulfonate
PubChem CID18624470
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name10H-phenoxazin-1-yl methanesulfonate
SMILESCS(=O)(=O)Oc1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C13H11NO4S/c1-19(15,16)18-12-8-4-7-11-13(12)14-9-5-2-3-6-10(9)17-11/h2-8,14H,1H3
InChIKeyZKYQTOCIWJYVKH-UHFFFAOYSA-N
XLogP2.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10H-phenoxazin-1-yl methanesulfonate?
The IUPAC name of 10H-phenoxazin-1-yl methanesulfonate (CID 18624470) is 10H-phenoxazin-1-yl methanesulfonate.
What is the SMILES notation for 10H-phenoxazin-1-yl methanesulfonate?
The canonical SMILES for 10H-phenoxazin-1-yl methanesulfonate is CS(=O)(=O)Oc1cccc2c1Nc1ccccc1O2.
What is the InChIKey of 10H-phenoxazin-1-yl methanesulfonate?
The InChIKey is ZKYQTOCIWJYVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c1-19(15,16)18-12-8-4-7-11-13(12)14-9-5-2-3-6-10(9)17-11/h2-8,14H,1H3.
What are the key properties of 10H-phenoxazin-1-yl methanesulfonate?
10H-phenoxazin-1-yl methanesulfonate has a molecular weight of 277.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenoxazin-1-yl methanesulfonate is sourced from PubChem (CID 18624470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).