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

C30H24N2O3S — CID 137151306

IUPACN-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C30H24N2O3S/c33-30-20-15-24-11-7-8-14-28(24)29(30)21-31-25-16-18-26(19-17-25)32(22-23-9-3-1-4-10-23)36(34,35)27-12-5-2-6-13-27/h1-21,33H,22H2/b31-21+
InChIKeyXZZMQBHYQCFRQK-NJZRLIGZSA-N
MW492.60 g/mol
LogP6.69
Rot. Bonds7

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

N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide (PubChem CID 137151306) has the molecular formula C30H24N2O3S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide
PubChem CID137151306
Molecular FormulaC30H24N2O3S
Molecular Weight492.60 g/mol
Exact Mass492.15
IUPAC NameN-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C30H24N2O3S/c33-30-20-15-24-11-7-8-14-28(24)29(30)21-31-25-16-18-26(19-17-25)32(22-23-9-3-1-4-10-23)36(34,35)27-12-5-2-6-13-27/h1-21,33H,22H2/b31-21+
InChIKeyXZZMQBHYQCFRQK-NJZRLIGZSA-N
XLogP6.69
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137101844
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
CID 3878912
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide
CID 135452793
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
CID 135862920
1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol
CID 136702067
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
CID 3850135
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 137107827
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306
1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol
CID 135758566
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
CID 135713314

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide (CID 137151306) is N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide?
The InChIKey is XZZMQBHYQCFRQK-NJZRLIGZSA-N. The full InChI is InChI=1S/C30H24N2O3S/c33-30-20-15-24-11-7-8-14-28(24)29(30)21-31-25-16-18-26(19-17-25)32(22-23-9-3-1-4-10-23)36(34,35)27-12-5-2-6-13-27/h1-21,33H,22H2/b31-21+.
What are the key properties of N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide?
N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide has a molecular weight of 492.60 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 137151306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).