4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide

C25H22N2O3S — CID 135862920

IUPAC4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C25H22N2O3S/c1-18(19-7-3-2-4-8-19)27-31(29,30)22-14-12-21(13-15-22)26-17-24-23-10-6-5-9-20(23)11-16-25(24)28/h2-18,27-28H,1H3/b26-17+
InChIKeyKBIYVGIDQMDTMC-YZSQISJMSA-N
MW430.53 g/mol
LogP5.34
Rot. Bonds6

About 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide

4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 135862920) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
PubChem CID135862920
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C25H22N2O3S/c1-18(19-7-3-2-4-8-19)27-31(29,30)22-14-12-21(13-15-22)26-17-24-23-10-6-5-9-20(23)11-16-25(24)28/h2-18,27-28H,1H3/b26-17+
InChIKeyKBIYVGIDQMDTMC-YZSQISJMSA-N
XLogP5.34
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 135921045
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
CID 2827646
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 1157126
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 171977564
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
CID 3850135
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide
CID 137151306
1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol
CID 136702067
1-[2-(1-phenylethylsulfamoyl)naphthalen-1-yl]naphthalene-2-sulfonic acid
CID 87554774
1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
CID 135713314

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide (CID 135862920) is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is KBIYVGIDQMDTMC-YZSQISJMSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-18(19-7-3-2-4-8-19)27-31(29,30)22-14-12-21(13-15-22)26-17-24-23-10-6-5-9-20(23)11-16-25(24)28/h2-18,27-28H,1H3/b26-17+.
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide?
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 135862920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).