N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide

C14H15NO4S — CID 115753767

IUPACN-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2O)cc1
InChIInChI=1S/C14H15NO4S/c1-19-12-6-8-13(9-7-12)20(17,18)15-10-11-4-2-3-5-14(11)16/h2-9,15-16H,10H2,1H3
InChIKeyBNPFFPVBAWWECH-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.88
Rot. Bonds5

About N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide

N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 115753767) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
PubChem CID115753767
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2O)cc1
InChIInChI=1S/C14H15NO4S/c1-19-12-6-8-13(9-7-12)20(17,18)15-10-11-4-2-3-5-14(11)16/h2-9,15-16H,10H2,1H3
InChIKeyBNPFFPVBAWWECH-UHFFFAOYSA-N
XLogP1.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 3830787
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 129241457
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
4-methoxy-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4204453
4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide
CID 57323122
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide (CID 115753767) is N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccccc2O)cc1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is BNPFFPVBAWWECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-19-12-6-8-13(9-7-12)20(17,18)15-10-11-4-2-3-5-14(11)16/h2-9,15-16H,10H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide?
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 293.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 115753767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).