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

C17H13NO3S — CID 135452793

IUPAC(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C17H13NO3S/c19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-22(20,21)14-7-2-1-3-8-14/h1-12,19H/b18-12+
InChIKeyROCKULJGBMKWIA-LDADJPATSA-N
MW311.36 g/mol
LogP3.35
Rot. Bonds3

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

(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide (PubChem CID 135452793) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide
PubChem CID135452793
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C17H13NO3S/c19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-22(20,21)14-7-2-1-3-8-14/h1-12,19H/b18-12+
InChIKeyROCKULJGBMKWIA-LDADJPATSA-N
XLogP3.35
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide
CID 148783161
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
CID 3878912
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136678607
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide?
The IUPAC name of (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide (CID 135452793) is (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide is O=S(=O)(/N=C/c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide?
The InChIKey is ROCKULJGBMKWIA-LDADJPATSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-22(20,21)14-7-2-1-3-8-14/h1-12,19H/b18-12+.
What are the key properties of (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide?
(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 3.35, 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]benzenesulfonamide is sourced from PubChem (CID 135452793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).