4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide

C21H18FN3O3S — CID 3496633

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide
SMILESCN(c1ccc(C(=O)NN=Cc2ccccc2F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18FN3O3S/c1-25(29(27,28)19-8-3-2-4-9-19)18-13-11-16(12-14-18)21(26)24-23-15-17-7-5-6-10-20(17)22/h2-15H,1H3,(H,24,26)
InChIKeyCZSPMPMZTWHGEU-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.41
Rot. Bonds6

About 4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide (PubChem CID 3496633) has the molecular formula C21H18FN3O3S and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide
PubChem CID3496633
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide
SMILESCN(c1ccc(C(=O)NN=Cc2ccccc2F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18FN3O3S/c1-25(29(27,28)19-8-3-2-4-9-19)18-13-11-16(12-14-18)21(26)24-23-15-17-7-5-6-10-20(17)22/h2-15H,1H3,(H,24,26)
InChIKeyCZSPMPMZTWHGEU-UHFFFAOYSA-N
XLogP3.41
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide (CID 3496633) is 4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide is CN(c1ccc(C(=O)NN=Cc2ccccc2F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide?
The InChIKey is CZSPMPMZTWHGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c1-25(29(27,28)19-8-3-2-4-9-19)18-13-11-16(12-14-18)21(26)24-23-15-17-7-5-6-10-20(17)22/h2-15H,1H3,(H,24,26).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide has a molecular weight of 411.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 3496633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).