N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide

C25H22N2O4S — CID 3813802

IUPACN-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
SMILESCOc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1
InChIInChI=1S/C25H22N2O4S/c1-30-24-14-11-20(15-25(24)31-18-19-7-3-2-4-8-19)17-26-27-32(28,29)23-13-12-21-9-5-6-10-22(21)16-23/h2-17,27H,18H2,1H3
InChIKeyWVJLIYBMPSGPPW-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.74
Rot. Bonds8

About N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide

N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide (PubChem CID 3813802) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
PubChem CID3813802
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC NameN-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
SMILESCOc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1
InChIInChI=1S/C25H22N2O4S/c1-30-24-14-11-20(15-25(24)31-18-19-7-3-2-4-8-19)17-26-27-32(28,29)23-13-12-21-9-5-6-10-22(21)16-23/h2-17,27H,18H2,1H3
InChIKeyWVJLIYBMPSGPPW-UHFFFAOYSA-N
XLogP4.74
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3,4-dimethoxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517474
4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516660
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 6294716
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1342169
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 5430799
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzenesulfonamide
CID 6872611
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 6248419
N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide
CID 87843255
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzenesulfonamide
CID 110509572
2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 17310896

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide?
The IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide (CID 3813802) is N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide is COc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1.
What is the InChIKey of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide?
The InChIKey is WVJLIYBMPSGPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S/c1-30-24-14-11-20(15-25(24)31-18-19-7-3-2-4-8-19)17-26-27-32(28,29)23-13-12-21-9-5-6-10-22(21)16-23/h2-17,27H,18H2,1H3.
What are the key properties of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide?
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide has a molecular weight of 446.53 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide is sourced from PubChem (CID 3813802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).