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

C17H14N2O3S — CID 690819

IUPAC4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C17H14N2O3S/c18-23(21,22)14-8-6-13(7-9-14)19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,20H,(H2,18,21,22)/b19-11+
InChIKeyKTTRXPZAPZPZER-YBFXNURJSA-N
MW326.38 g/mol
LogP2.94
Rot. Bonds3

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

4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide (PubChem CID 690819) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
PubChem CID690819
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C17H14N2O3S/c18-23(21,22)14-8-6-13(7-9-14)19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,20H,(H2,18,21,22)/b19-11+
InChIKeyKTTRXPZAPZPZER-YBFXNURJSA-N
XLogP2.94
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide (CID 690819) is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
The InChIKey is KTTRXPZAPZPZER-YBFXNURJSA-N. The full InChI is InChI=1S/C17H14N2O3S/c18-23(21,22)14-8-6-13(7-9-14)19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,20H,(H2,18,21,22)/b19-11+.
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide has a molecular weight of 326.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 690819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).