4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide

C26H24N2O4S — CID 70701384

IUPAC4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc(-c4ccccc4)c3)cc2)c1O
InChIInChI=1S/C26H24N2O4S/c1-32-25-12-6-10-21(26(25)29)18-27-22-13-15-24(16-14-22)33(30,31)28-23-11-5-9-20(17-23)19-7-3-2-4-8-19/h2-17,27-29H,18H2,1H3
InChIKeyLHCRUHINUUSVOM-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.48
Rot. Bonds8

About 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide

4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide (PubChem CID 70701384) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide
PubChem CID70701384
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc(-c4ccccc4)c3)cc2)c1O
InChIInChI=1S/C26H24N2O4S/c1-32-25-12-6-10-21(26(25)29)18-27-22-13-15-24(16-14-22)33(30,31)28-23-11-5-9-20(17-23)19-7-3-2-4-8-19/h2-17,27-29H,18H2,1H3
InChIKeyLHCRUHINUUSVOM-UHFFFAOYSA-N
XLogP5.48
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide (CID 70701384) is 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide is COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc(-c4ccccc4)c3)cc2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide?
The InChIKey is LHCRUHINUUSVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-32-25-12-6-10-21(26(25)29)18-27-22-13-15-24(16-14-22)33(30,31)28-23-11-5-9-20(17-23)19-7-3-2-4-8-19/h2-17,27-29H,18H2,1H3.
What are the key properties of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide?
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide has a molecular weight of 460.56 g/mol, XLogP of 5.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 70701384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).