4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide

C24H22N2O4S — CID 70701393

IUPAC4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c1O
InChIInChI=1S/C24H22N2O4S/c1-30-23-11-5-8-18(24(23)27)16-25-19-12-14-20(15-13-19)31(28,29)26-22-10-4-7-17-6-2-3-9-21(17)22/h2-15,25-27H,16H2,1H3
InChIKeySVSVMWNVBFHRDE-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.97
Rot. Bonds7

About 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide

4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 70701393) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID70701393
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c1O
InChIInChI=1S/C24H22N2O4S/c1-30-23-11-5-8-18(24(23)27)16-25-19-12-14-20(15-13-19)31(28,29)26-22-10-4-7-17-6-2-3-9-21(17)22/h2-15,25-27H,16H2,1H3
InChIKeySVSVMWNVBFHRDE-UHFFFAOYSA-N
XLogP4.97
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.97
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-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide (CID 70701393) is 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide is COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is SVSVMWNVBFHRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-30-23-11-5-8-18(24(23)27)16-25-19-12-14-20(15-13-19)31(28,29)26-22-10-4-7-17-6-2-3-9-21(17)22/h2-15,25-27H,16H2,1H3.
What are the key properties of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide?
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 4.97, 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-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 70701393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).