[1-(4-phenylphenyl)ethylideneamino] methanesulfonate

C15H15NO3S — CID 88574998

IUPAC[1-(4-phenylphenyl)ethylideneamino] methanesulfonate
SMILESCC(=NOS(C)(=O)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12(16-19-20(2,17)18)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyWAKFNXRJJFRLQA-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.05
Rot. Bonds4

About [1-(4-phenylphenyl)ethylideneamino] methanesulfonate

[1-(4-phenylphenyl)ethylideneamino] methanesulfonate (PubChem CID 88574998) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is [1-(4-phenylphenyl)ethylideneamino] methanesulfonate.

Molecular Properties

Compound Name[1-(4-phenylphenyl)ethylideneamino] methanesulfonate
PubChem CID88574998
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name[1-(4-phenylphenyl)ethylideneamino] methanesulfonate
SMILESCC(=NOS(C)(=O)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12(16-19-20(2,17)18)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyWAKFNXRJJFRLQA-UHFFFAOYSA-N
XLogP3.05
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(Z)-[chloro-(4-phenylphenyl)methylidene]amino] methanesulfonate
CID 134096844
(1-phenylethylideneamino) benzenesulfonate
CID 86155707
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
[(Z)-[chloro-(4-phenoxyphenyl)methylidene]amino] methanesulfonate
CID 134122638
ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 160781047
(E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine
CID 138969794
[(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate
CID 23631755
ethane;(4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate;naphthalene
CID 90811602
2-[1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethyl methanesulfonate
CID 139790920
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
[(E)-1-phenylethylideneamino] acetate
CID 5392489
2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
CID 54612215

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenylphenyl)ethylideneamino] methanesulfonate?
The IUPAC name of [1-(4-phenylphenyl)ethylideneamino] methanesulfonate (CID 88574998) is [1-(4-phenylphenyl)ethylideneamino] methanesulfonate.
What is the SMILES notation for [1-(4-phenylphenyl)ethylideneamino] methanesulfonate?
The canonical SMILES for [1-(4-phenylphenyl)ethylideneamino] methanesulfonate is CC(=NOS(C)(=O)=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [1-(4-phenylphenyl)ethylideneamino] methanesulfonate?
The InChIKey is WAKFNXRJJFRLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-12(16-19-20(2,17)18)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of [1-(4-phenylphenyl)ethylideneamino] methanesulfonate?
[1-(4-phenylphenyl)ethylideneamino] methanesulfonate has a molecular weight of 289.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenylphenyl)ethylideneamino] methanesulfonate is sourced from PubChem (CID 88574998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).