N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide

C25H23N3O2S — CID 151981962

IUPACN-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccc(C)cc1)c1cc(-c2cccc3ccccc23)ccc1N
InChIInChI=1S/C25H23N3O2S/c1-17-10-13-21(14-11-17)31(29,30)28-27-18(2)24-16-20(12-15-25(24)26)23-9-5-7-19-6-3-4-8-22(19)23/h3-16,28H,26H2,1-2H3
InChIKeyUCWCSSMHYGOAIH-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.10
Rot. Bonds5

About N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide

N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 151981962) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
PubChem CID151981962
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccc(C)cc1)c1cc(-c2cccc3ccccc23)ccc1N
InChIInChI=1S/C25H23N3O2S/c1-17-10-13-21(14-11-17)31(29,30)28-27-18(2)24-16-20(12-15-25(24)26)23-9-5-7-19-6-3-4-8-22(19)23/h3-16,28H,26H2,1-2H3
InChIKeyUCWCSSMHYGOAIH-UHFFFAOYSA-N
XLogP5.10
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide (CID 151981962) is N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide is CC(=NNS(=O)(=O)c1ccc(C)cc1)c1cc(-c2cccc3ccccc23)ccc1N.
What is the InChIKey of N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is UCWCSSMHYGOAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-17-10-13-21(14-11-17)31(29,30)28-27-18(2)24-16-20(12-15-25(24)26)23-9-5-7-19-6-3-4-8-22(19)23/h3-16,28H,26H2,1-2H3.
What are the key properties of N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 429.55 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 151981962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).