N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide

C18H15NO4S — CID 148783161

IUPACN-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C18H15NO4S/c1-23-14-7-9-15(10-8-14)24(21,22)19-12-17-16-5-3-2-4-13(16)6-11-18(17)20/h2-12,20H,1H3
InChIKeyOKRZSVKSPPPBDW-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.36
Rot. Bonds4

About N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide

N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide (PubChem CID 148783161) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide
PubChem CID148783161
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C18H15NO4S/c1-23-14-7-9-15(10-8-14)24(21,22)19-12-17-16-5-3-2-4-13(16)6-11-18(17)20/h2-12,20H,1H3
InChIKeyOKRZSVKSPPPBDW-UHFFFAOYSA-N
XLogP3.36
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.36
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

(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide
CID 135452793
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 136720648
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
CID 3878912
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
(NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 146210091
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
1-[(2-methoxyphenyl)methyliminomethyl]naphthalen-2-ol
CID 135595588
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 59234789

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide (CID 148783161) is N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N=Cc2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide?
The InChIKey is OKRZSVKSPPPBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-23-14-7-9-15(10-8-14)24(21,22)19-12-17-16-5-3-2-4-13(16)6-11-18(17)20/h2-12,20H,1H3.
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide?
N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 148783161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).