10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine

C22H21NO5S — CID 177377503

IUPAC10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine
SMILESCOCCCOc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C22H21NO5S/c1-26-15-6-16-27-17-11-13-18(14-12-17)29(24,25)23-19-7-2-4-9-21(19)28-22-10-5-3-8-20(22)23/h2-5,7-14H,6,15-16H2,1H3
InChIKeyLBRQDEVTIVWRQL-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.73
Rot. Bonds7

About 10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine

10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine (PubChem CID 177377503) has the molecular formula C22H21NO5S and a molecular weight of 411.48 g/mol. Its IUPAC name is 10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine.

Molecular Properties

Compound Name10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine
PubChem CID177377503
Molecular FormulaC22H21NO5S
Molecular Weight411.48 g/mol
Exact Mass411.11
IUPAC Name10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine
SMILESCOCCCOc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C22H21NO5S/c1-26-15-6-16-27-17-11-13-18(14-12-17)29(24,25)23-19-7-2-4-9-21(19)28-22-10-5-3-8-20(22)23/h2-5,7-14H,6,15-16H2,1H3
InChIKeyLBRQDEVTIVWRQL-UHFFFAOYSA-N
XLogP4.73
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine?
The IUPAC name of 10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine (CID 177377503) is 10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine.
What is the SMILES notation for 10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine?
The canonical SMILES for 10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine is COCCCOc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine?
The InChIKey is LBRQDEVTIVWRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5S/c1-26-15-6-16-27-17-11-13-18(14-12-17)29(24,25)23-19-7-2-4-9-21(19)28-22-10-5-3-8-20(22)23/h2-5,7-14H,6,15-16H2,1H3.
What are the key properties of 10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine?
10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine has a molecular weight of 411.48 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3-methoxypropoxy)phenyl]sulfonylphenoxazine is sourced from PubChem (CID 177377503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).