N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide

C14H13NO3S — CID 768968

IUPACN-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2ccccc2O)cc1
InChIInChI=1S/C14H13NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-10-12-4-2-3-5-14(12)16/h2-10,16H,1H3
InChIKeyHTRHOPJRRZCQJM-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.51
Rot. Bonds3

About N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide

N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 768968) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID768968
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2ccccc2O)cc1
InChIInChI=1S/C14H13NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-10-12-4-2-3-5-14(12)16/h2-10,16H,1H3
InChIKeyHTRHOPJRRZCQJM-UHFFFAOYSA-N
XLogP2.51
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide (CID 768968) is N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=Cc2ccccc2O)cc1.
What is the InChIKey of N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is HTRHOPJRRZCQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-10-12-4-2-3-5-14(12)16/h2-10,16H,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 768968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).