4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C20H15N3O3S2 — CID 1157126

IUPAC4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H15N3O3S2/c24-19-10-5-14-3-1-2-4-17(14)18(19)13-22-15-6-8-16(9-7-15)28(25,26)23-20-21-11-12-27-20/h1-13,24H,(H,21,23)/b22-13+
InChIKeyIRQHXAWMTDZJGM-LPYMAVHISA-N
MW409.49 g/mol
LogP4.55
Rot. Bonds5

About 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 1157126) has the molecular formula C20H15N3O3S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID1157126
Molecular FormulaC20H15N3O3S2
Molecular Weight409.49 g/mol
Exact Mass409.06
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H15N3O3S2/c24-19-10-5-14-3-1-2-4-17(14)18(19)13-22-15-6-8-16(9-7-15)28(25,26)23-20-21-11-12-27-20/h1-13,24H,(H,21,23)/b22-13+
InChIKeyIRQHXAWMTDZJGM-LPYMAVHISA-N
XLogP4.55
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol
CID 135443142
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 171977564
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
CID 135862920
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
CID 3878912
2-[[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 135699881
4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 5146115
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 135595779
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88543999

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 1157126) is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IRQHXAWMTDZJGM-LPYMAVHISA-N. The full InChI is InChI=1S/C20H15N3O3S2/c24-19-10-5-14-3-1-2-4-17(14)18(19)13-22-15-6-8-16(9-7-15)28(25,26)23-20-21-11-12-27-20/h1-13,24H,(H,21,23)/b22-13+.
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 409.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 1157126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).