[(4-phenoxyphenyl)methylideneamino] methanesulfonate

C14H13NO4S — CID 89251639

IUPAC[(4-phenoxyphenyl)methylideneamino] methanesulfonate
SMILESCS(=O)(=O)ON=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H13NO4S/c1-20(16,17)19-15-11-12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeySKSQZISUDYAWSV-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.79
Rot. Bonds5

About [(4-phenoxyphenyl)methylideneamino] methanesulfonate

[(4-phenoxyphenyl)methylideneamino] methanesulfonate (PubChem CID 89251639) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is [(4-phenoxyphenyl)methylideneamino] methanesulfonate.

Molecular Properties

Compound Name[(4-phenoxyphenyl)methylideneamino] methanesulfonate
PubChem CID89251639
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name[(4-phenoxyphenyl)methylideneamino] methanesulfonate
SMILESCS(=O)(=O)ON=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H13NO4S/c1-20(16,17)19-15-11-12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeySKSQZISUDYAWSV-UHFFFAOYSA-N
XLogP2.79
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-phenoxyphenyl)methylideneamino]methanamine
CID 110839619
[(Z)-[chloro-(4-phenoxyphenyl)methylidene]amino] methanesulfonate
CID 134122638
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
(E)-1-(4-methoxyphenyl)-N-phenoxymethanimine
CID 11790929
1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenoxy]benzene;sulfuric acid
CID 172784219
[(E)-benzylideneamino] 4-methylbenzenesulfonate
CID 20702846
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
[2-hydroxy-2-(4-phenoxyphenyl)ethyl] methanesulfonate
CID 23290257
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
[(3E)-4-(4-phenoxyphenyl)buta-1,3-dien-2-yl] 2,2-dimethylpropanoate
CID 102405004
azane;phenoxybenzene;sulfuric acid
CID 66973780

Frequently Asked Questions

What is the IUPAC name of [(4-phenoxyphenyl)methylideneamino] methanesulfonate?
The IUPAC name of [(4-phenoxyphenyl)methylideneamino] methanesulfonate (CID 89251639) is [(4-phenoxyphenyl)methylideneamino] methanesulfonate.
What is the SMILES notation for [(4-phenoxyphenyl)methylideneamino] methanesulfonate?
The canonical SMILES for [(4-phenoxyphenyl)methylideneamino] methanesulfonate is CS(=O)(=O)ON=Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [(4-phenoxyphenyl)methylideneamino] methanesulfonate?
The InChIKey is SKSQZISUDYAWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-20(16,17)19-15-11-12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of [(4-phenoxyphenyl)methylideneamino] methanesulfonate?
[(4-phenoxyphenyl)methylideneamino] methanesulfonate has a molecular weight of 291.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-phenoxyphenyl)methylideneamino] methanesulfonate is sourced from PubChem (CID 89251639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).