4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide

C23H19ClN2O3S — CID 70701406

IUPAC4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(NCc2cccc(Cl)c2O)cc1
InChIInChI=1S/C23H19ClN2O3S/c24-21-9-3-7-17(23(21)27)15-25-18-11-13-19(14-12-18)30(28,29)26-22-10-4-6-16-5-1-2-8-20(16)22/h1-14,25-27H,15H2
InChIKeyKKGIUYYXEXKXSZ-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.61
Rot. Bonds6

About 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide

4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 70701406) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID70701406
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(NCc2cccc(Cl)c2O)cc1
InChIInChI=1S/C23H19ClN2O3S/c24-21-9-3-7-17(23(21)27)15-25-18-11-13-19(14-12-18)30(28,29)26-22-10-4-6-16-5-1-2-8-20(16)22/h1-14,25-27H,15H2
InChIKeyKKGIUYYXEXKXSZ-UHFFFAOYSA-N
XLogP5.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide (CID 70701406) is 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2ccccc12)c1ccc(NCc2cccc(Cl)c2O)cc1.
What is the InChIKey of 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is KKGIUYYXEXKXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c24-21-9-3-7-17(23(21)27)15-25-18-11-13-19(14-12-18)30(28,29)26-22-10-4-6-16-5-1-2-8-20(16)22/h1-14,25-27H,15H2.
What are the key properties of 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide?
4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 438.94 g/mol, XLogP of 5.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 70701406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).