4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

C22H18N4O4S — CID 135692926

IUPAC4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccc4ccccc4c3O)cc2)ncn1
InChIInChI=1S/C22H18N4O4S/c1-30-21-12-20(24-14-25-21)26-31(28,29)18-10-8-17(9-11-18)23-13-16-7-6-15-4-2-3-5-19(15)22(16)27/h2-14,27H,1H3,(H,24,25,26)/b23-13+
InChIKeyWZUSHPONQGJLDV-YDZHTSKRSA-N
MW434.48 g/mol
LogP3.90
Rot. Bonds6

About 4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (PubChem CID 135692926) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
PubChem CID135692926
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC Name4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccc4ccccc4c3O)cc2)ncn1
InChIInChI=1S/C22H18N4O4S/c1-30-21-12-20(24-14-25-21)26-31(28,29)18-10-8-17(9-11-18)23-13-16-7-6-15-4-2-3-5-19(15)22(16)27/h2-14,27H,1H3,(H,24,25,26)/b23-13+
InChIKeyWZUSHPONQGJLDV-YDZHTSKRSA-N
XLogP3.90
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 171977564
4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 135860245
2-[(4-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953527
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782946
3,4,5-trihydroxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 90479890
4-aminobenzenesulfonamide;4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 174885435
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 4545791
(E)-3-(2-chlorophenyl)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 54783037
2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol
CID 135885630
ethyl (E)-4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 54783018
4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 136697043
4-chloro-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 135647860

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (CID 135692926) is 4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccc4ccccc4c3O)cc2)ncn1.
What is the InChIKey of 4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide?
The InChIKey is WZUSHPONQGJLDV-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N4O4S/c1-30-21-12-20(24-14-25-21)26-31(28,29)18-10-8-17(9-11-18)23-13-16-7-6-15-4-2-3-5-19(15)22(16)27/h2-14,27H,1H3,(H,24,25,26)/b23-13+.
What are the key properties of 4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide?
4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide has a molecular weight of 434.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 135692926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).