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

C18H15NO3S — CID 135403133

IUPAC(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C18H15NO3S/c1-13-6-9-15(10-7-13)23(21,22)19-12-17-16-5-3-2-4-14(16)8-11-18(17)20/h2-12,20H,1H3/b19-12+
InChIKeyWCYGPLQLYOSVIH-XDHOZWIPSA-N
MW325.39 g/mol
LogP3.66
Rot. Bonds3

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

(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 135403133) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide
PubChem CID135403133
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C18H15NO3S/c1-13-6-9-15(10-7-13)23(21,22)19-12-17-16-5-3-2-4-14(16)8-11-18(17)20/h2-12,20H,1H3/b19-12+
InChIKeyWCYGPLQLYOSVIH-XDHOZWIPSA-N
XLogP3.66
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide (CID 135403133) is (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is WCYGPLQLYOSVIH-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-13-6-9-15(10-7-13)23(21,22)19-12-17-16-5-3-2-4-14(16)8-11-18(17)20/h2-12,20H,1H3/b19-12+.
What are the key properties of (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide?
(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135403133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).