N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide

C15H15N3O3S — CID 6473970

IUPACN-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C15H15N3O3S/c1-12(19)17-14-7-9-15(10-8-14)22(20,21)18-16-11-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)/b16-11+
InChIKeyGCMAQOABHCELHZ-LFIBNONCSA-N
MW317.37 g/mol
LogP1.96
Rot. Bonds5

About N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide

N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide (PubChem CID 6473970) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide
PubChem CID6473970
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C15H15N3O3S/c1-12(19)17-14-7-9-15(10-8-14)22(20,21)18-16-11-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)/b16-11+
InChIKeyGCMAQOABHCELHZ-LFIBNONCSA-N
XLogP1.96
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
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 N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide (CID 6473970) is N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide?
The InChIKey is GCMAQOABHCELHZ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-12(19)17-14-7-9-15(10-8-14)22(20,21)18-16-11-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)/b16-11+.
What are the key properties of N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide has a molecular weight of 317.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 6473970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).