4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide

C31H24FN3O4S — CID 6002265

IUPAC4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C31H24FN3O4S/c32-25-15-10-22(11-16-25)21-39-30-19-14-23-6-4-5-9-28(23)29(30)20-33-34-31(36)24-12-17-26(18-13-24)35-40(37,38)27-7-2-1-3-8-27/h1-20,35H,21H2,(H,34,36)/b33-20-
InChIKeyCTRAQGGHGZPFNV-UCMJSZAQSA-N
MW553.62 g/mol
LogP6.12
Rot. Bonds9

About 4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide

4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide (PubChem CID 6002265) has the molecular formula C31H24FN3O4S and a molecular weight of 553.62 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
PubChem CID6002265
Molecular FormulaC31H24FN3O4S
Molecular Weight553.62 g/mol
Exact Mass553.15
IUPAC Name4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C31H24FN3O4S/c32-25-15-10-22(11-16-25)21-39-30-19-14-23-6-4-5-9-28(23)29(30)20-33-34-31(36)24-12-17-26(18-13-24)35-40(37,38)27-7-2-1-3-8-27/h1-20,35H,21H2,(H,34,36)/b33-20-
InChIKeyCTRAQGGHGZPFNV-UCMJSZAQSA-N
XLogP6.12
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.62
LogP ≤ 56.12
H-Bond Donors ≤ 52
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

4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6058956
N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide
CID 45055002
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide
CID 4690397
N-(4-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3580883
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide
CID 5168763
N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6021400
[1-[[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 3824985
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6111701
2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 5065891
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615
2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6031148
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]oxamide
CID 6139460

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide (CID 6002265) is 4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide is O=C(N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
The InChIKey is CTRAQGGHGZPFNV-UCMJSZAQSA-N. The full InChI is InChI=1S/C31H24FN3O4S/c32-25-15-10-22(11-16-25)21-39-30-19-14-23-6-4-5-9-28(23)29(30)20-33-34-31(36)24-12-17-26(18-13-24)35-40(37,38)27-7-2-1-3-8-27/h1-20,35H,21H2,(H,34,36)/b33-20-.
What are the key properties of 4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide has a molecular weight of 553.62 g/mol, XLogP of 6.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide is sourced from PubChem (CID 6002265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).