2-[[methylsulfonyl(phenyl)methylidene]amino]phenol

C14H13NO3S — CID 23333943

IUPAC2-[[methylsulfonyl(phenyl)methylidene]amino]phenol
SMILESCS(=O)(=O)/C(=N\c1ccccc1O)c1ccccc1
InChIInChI=1S/C14H13NO3S/c1-19(17,18)14(11-7-3-2-4-8-11)15-12-9-5-6-10-13(12)16/h2-10,16H,1H3/b15-14-
InChIKeyZGBBOWHPPDPLFD-PFONDFGASA-N
MW275.33 g/mol
LogP2.52
Rot. Bonds2

About 2-[[methylsulfonyl(phenyl)methylidene]amino]phenol

2-[[methylsulfonyl(phenyl)methylidene]amino]phenol (PubChem CID 23333943) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[[methylsulfonyl(phenyl)methylidene]amino]phenol.

Molecular Properties

Compound Name2-[[methylsulfonyl(phenyl)methylidene]amino]phenol
PubChem CID23333943
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-[[methylsulfonyl(phenyl)methylidene]amino]phenol
SMILESCS(=O)(=O)/C(=N\c1ccccc1O)c1ccccc1
InChIInChI=1S/C14H13NO3S/c1-19(17,18)14(11-7-3-2-4-8-11)15-12-9-5-6-10-13(12)16/h2-10,16H,1H3/b15-14-
InChIKeyZGBBOWHPPDPLFD-PFONDFGASA-N
XLogP2.52
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[methylsulfonyl(phenyl)methylidene]amino]phenol?
The IUPAC name of 2-[[methylsulfonyl(phenyl)methylidene]amino]phenol (CID 23333943) is 2-[[methylsulfonyl(phenyl)methylidene]amino]phenol.
What is the SMILES notation for 2-[[methylsulfonyl(phenyl)methylidene]amino]phenol?
The canonical SMILES for 2-[[methylsulfonyl(phenyl)methylidene]amino]phenol is CS(=O)(=O)/C(=N\c1ccccc1O)c1ccccc1.
What is the InChIKey of 2-[[methylsulfonyl(phenyl)methylidene]amino]phenol?
The InChIKey is ZGBBOWHPPDPLFD-PFONDFGASA-N. The full InChI is InChI=1S/C14H13NO3S/c1-19(17,18)14(11-7-3-2-4-8-11)15-12-9-5-6-10-13(12)16/h2-10,16H,1H3/b15-14-.
What are the key properties of 2-[[methylsulfonyl(phenyl)methylidene]amino]phenol?
2-[[methylsulfonyl(phenyl)methylidene]amino]phenol has a molecular weight of 275.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methylsulfonyl(phenyl)methylidene]amino]phenol is sourced from PubChem (CID 23333943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).