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

C24H22N2O4S — CID 70701412

IUPAC4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2)c1O
InChIInChI=1S/C24H22N2O4S/c1-30-23-8-4-7-19(24(23)27)16-25-20-11-13-22(14-12-20)31(28,29)26-21-10-9-17-5-2-3-6-18(17)15-21/h2-15,25-27H,16H2,1H3
InChIKeySKRVAOJKHGQPBH-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.97
Rot. Bonds7

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

4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide (PubChem CID 70701412) 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-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide
PubChem CID70701412
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2)c1O
InChIInChI=1S/C24H22N2O4S/c1-30-23-8-4-7-19(24(23)27)16-25-20-11-13-22(14-12-20)31(28,29)26-21-10-9-17-5-2-3-6-18(17)15-21/h2-15,25-27H,16H2,1H3
InChIKeySKRVAOJKHGQPBH-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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Related Compounds

4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-phenylbenzenesulfonamide
CID 70701387
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide
CID 70701393
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
4-[(2,3-Dimethoxybenzyl)amino]benzenesulfonamide
CID 834458
6-(Dimethylamino)-3-(4'-hydroxy-3'-methoxyphenyl)-2,3-dihydronaphtho[1,8-de][1,2]thiazine 1,1-dioxide (7j)
CID 126842708
6-(Dimethylamino)-3-(3'-hydroxy-4'-methoxyphenyl)-2,3-dihydronaphtho[1,8-de][1,2]thiazine 1,1-dioxide (7k)
CID 126842709
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(4-piperidin-4-ylphenyl)benzenesulfonamide
CID 70701358
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(4-piperazin-1-ylphenyl)benzenesulfonamide
CID 70701364
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-phenylphenyl)benzenesulfonamide
CID 70701384
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 70701397

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide (CID 70701412) is 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide is COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide?
The InChIKey is SKRVAOJKHGQPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-30-23-8-4-7-19(24(23)27)16-25-20-11-13-22(14-12-20)31(28,29)26-21-10-9-17-5-2-3-6-18(17)15-21/h2-15,25-27H,16H2,1H3.
What are the key properties of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-ylbenzenesulfonamide?
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-2-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-2-ylbenzenesulfonamide is sourced from PubChem (CID 70701412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).