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

C20H20N2O4S — CID 70701387

IUPAC4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1O
InChIInChI=1S/C20H20N2O4S/c1-26-19-9-5-6-15(20(19)23)14-21-16-10-12-18(13-11-16)27(24,25)22-17-7-3-2-4-8-17/h2-13,21-23H,14H2,1H3
InChIKeyRRHICCAMORKQAC-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.81
Rot. Bonds7

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

4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide (PubChem CID 70701387) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide
PubChem CID70701387
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1O
InChIInChI=1S/C20H20N2O4S/c1-26-19-9-5-6-15(20(19)23)14-21-16-10-12-18(13-11-16)27(24,25)22-17-7-3-2-4-8-17/h2-13,21-23H,14H2,1H3
InChIKeyRRHICCAMORKQAC-UHFFFAOYSA-N
XLogP3.81
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-[(2,3-dimethoxyphenyl)methyl]anilino]-N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]acetamide
CID 513420
N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[N-[(2,3-dimethoxyphenyl)methyl]anilino]acetamide
CID 513421
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-thiophen-2-ylbenzenesulfonamide
CID 70701372
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide
CID 70701393
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide
CID 70701412
N-(3-tert-butylphenyl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide
CID 76321347
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 76332191
Tert-butyl 4-[3-[[4-[(2-hydroxy-3-methoxyphenyl)methylamino]phenyl]sulfonylamino]phenyl]piperidine-1-carboxylate
CID 76335829
Vanyldisulfamide
CID 216267
4-[(2,3-Dimethoxybenzyl)amino]benzenesulfonamide
CID 834458
4-[(3,4-Dimethoxyphenyl)methylamino]benzenesulfonamide
CID 834460
4-({2-[(2-Fluorobenzyl)oxy]-3-methoxybenzyl}amino)benzenesulfonamide
CID 979804

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide (CID 70701387) is 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide is COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide?
The InChIKey is RRHICCAMORKQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-26-19-9-5-6-15(20(19)23)14-21-16-10-12-18(13-11-16)27(24,25)22-17-7-3-2-4-8-17/h2-13,21-23H,14H2,1H3.
What are the key properties of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide?
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.81, 7 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-phenylbenzenesulfonamide is sourced from PubChem (CID 70701387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).