2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide

C25H22N2O3S — CID 135800240

IUPAC2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C25H22N2O3S/c1-18(19-9-3-2-4-10-19)27-31(29,30)25-14-8-7-13-23(25)26-17-22-21-12-6-5-11-20(21)15-16-24(22)28/h2-18,27-28H,1H3/b26-17+
InChIKeyKMAJKSFQPZXKBL-YZSQISJMSA-N
MW430.53 g/mol
LogP5.34
Rot. Bonds6

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

2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 135800240) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
PubChem CID135800240
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C25H22N2O3S/c1-18(19-9-3-2-4-10-19)27-31(29,30)25-14-8-7-13-23(25)26-17-22-21-12-6-5-11-20(21)15-16-24(22)28/h2-18,27-28H,1H3/b26-17+
InChIKeyKMAJKSFQPZXKBL-YZSQISJMSA-N
XLogP5.34
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.34
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 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide (CID 135800240) is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is KMAJKSFQPZXKBL-YZSQISJMSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-18(19-9-3-2-4-10-19)27-31(29,30)25-14-8-7-13-23(25)26-17-22-21-12-6-5-11-20(21)15-16-24(22)28/h2-18,27-28H,1H3/b26-17+.
What are the key properties of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide?
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 135800240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).