4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide

C24H25N3O6S — CID 6049307

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H25N3O6S/c1-27(34(29,30)20-8-6-5-7-9-20)19-12-10-18(11-13-19)24(28)26-25-16-17-14-21(31-2)23(33-4)22(15-17)32-3/h5-16H,1-4H3,(H,26,28)/b25-16+
InChIKeyPWEMCSAGRFLWOS-PCLIKHOPSA-N
MW483.55 g/mol
LogP3.30
Rot. Bonds9

About 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide (PubChem CID 6049307) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
PubChem CID6049307
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H25N3O6S/c1-27(34(29,30)20-8-6-5-7-9-20)19-12-10-18(11-13-19)24(28)26-25-16-17-14-21(31-2)23(33-4)22(15-17)32-3/h5-16H,1-4H3,(H,26,28)/b25-16+
InChIKeyPWEMCSAGRFLWOS-PCLIKHOPSA-N
XLogP3.30
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide (CID 6049307) is 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is PWEMCSAGRFLWOS-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-27(34(29,30)20-8-6-5-7-9-20)19-12-10-18(11-13-19)24(28)26-25-16-17-14-21(31-2)23(33-4)22(15-17)32-3/h5-16H,1-4H3,(H,26,28)/b25-16+.
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 483.55 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6049307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).