4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide

C26H24N2O3S — CID 154718763

IUPAC4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O/N=C/c2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O3S/c1-20-14-16-24(17-15-20)32(29,30)28-19-26(22-9-3-2-4-10-22)31-27-18-23-12-7-11-21-8-5-6-13-25(21)23/h2-18,26,28H,19H2,1H3/b27-18+
InChIKeyKYQFFDOBZPTFEY-OVVQPSECSA-N
MW444.56 g/mol
LogP5.22
Rot. Bonds8

About 4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide

4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide (PubChem CID 154718763) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide
PubChem CID154718763
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O/N=C/c2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O3S/c1-20-14-16-24(17-15-20)32(29,30)28-19-26(22-9-3-2-4-10-22)31-27-18-23-12-7-11-21-8-5-6-13-25(21)23/h2-18,26,28H,19H2,1H3/b27-18+
InChIKeyKYQFFDOBZPTFEY-OVVQPSECSA-N
XLogP5.22
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(E)-(4-fluorophenyl)methylideneamino]oxy-2-phenylethyl]-4-methylbenzenesulfonamide
CID 154718760
4-methyl-N-[2-[(E)-naphthalen-2-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide
CID 154718765
1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide
CID 166326546
N,N-dimethyl-4-[(E)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide
CID 9689301
(R)-1-(1-naphthyl)-2-(5,6,7,8-tetrahydro-2-naphthylsulfonylamino)-1-ethanol
CID 95367237
N-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylbenzenesulfonamide
CID 102146802
N,N-dimethyl-4-[C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide
CID 5030884
N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide
CID 6252655
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56764150
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 90497350
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 90497351
4-ethyl-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 90497355

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide (CID 154718763) is 4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(O/N=C/c2cccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide?
The InChIKey is KYQFFDOBZPTFEY-OVVQPSECSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-20-14-16-24(17-15-20)32(29,30)28-19-26(22-9-3-2-4-10-22)31-27-18-23-12-7-11-21-8-5-6-13-25(21)23/h2-18,26,28H,19H2,1H3/b27-18+.
What are the key properties of 4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide?
4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide has a molecular weight of 444.56 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(E)-naphthalen-1-ylmethylideneamino]oxy-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 154718763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).